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4'-Methylacetophenone

Compound with spectra: 70 NMR, 12 FTIR, 2 Raman, 22 MS (GC), and 2 Near IR

4'-Methylacetophenone
SpectraBase Compound ID 8UfDID3TFfW
InChI InChI=1S/C9H10O/c1-7-3-5-9(6-4-7)8(2)10/h3-6H,1-2H3
InChIKey GNKZMNRKLCTJAY-UHFFFAOYSA-N
Mol Weight 134.18 g/mol
Molecular Formula C9H10O
Exact Mass 134.073165 g/mol

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Raman Spectrum
Copyright Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Alfa Aesar, Thermo Fisher Scientific
Source of Spectrum Bio-Rad Laboratories, Inc.
Catalog Number A14469

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Raman Spectrum
Copyright Copyright © 2014-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Spectrochem Pvt. Ltd., India
Source of Spectrum Bio-Rad Laboratories
Catalog Number 11317

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ATR-IR Spectrum
Copyright Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Alfa Aesar, Thermo Fisher Scientific
Source of Spectrum Bio-Rad Laboratories, Inc.
Catalog Number A14469

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ATR-IR Spectrum
Copyright Copyright © 2014-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Spectrochem Pvt. Ltd.
Source of Spectrum Bio-Rad Laboratories, Inc.
Catalog Number 11317

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ATR-IR Spectrum
Copyright Copyright © 2018-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Aldrich
Catalog Number M26615

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FTIR Spectrum
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Dupont Company, Wilmington, Delaware
Technique CAPILLARY CELL: NEAT

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FTIR Spectrum
Copyright Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Alfa Aesar, Thermo Fisher Scientific
Source of Spectrum Bio-Rad Laboratories, Inc.
Catalog Number A14469
Technique Neat

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FTIR Spectrum
Copyright Copyright © 1989, 1990-2025 Wiley-VCH GmbH. All Rights Reserved.
Source of Sample Merck-Schuchardt Hohenbrunn
Technique Cell

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FTIR Spectrum
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Dupont Company, Wilmington, Delaware
Technique CAPILLARY CELL: NEAT

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FTIR Spectrum
Copyright Copyright © 2018-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Spectrochem Pvt. Ltd.
Source of Spectrum Bio-Rad Laboratories, Inc.
Catalog Number 11317
Technique Neat

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FTIR Spectrum
Copyright Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich Co. LLC.
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number W267708
Technique Between salts

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1H NMR Spectrum
Copyright Copyright © 1991-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Fluka AG, Buchs, Switzerland
Solvent CDCl3; Reference=TMS; Temperature 297K

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1H NMR Spectrum
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CDCl3

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1H NMR Spectrum
Copyright Copyright © 2009-2025 John Wiley & Sons, Inc. All Rights Reserved.
Solvent CCl4

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1H NMR Spectrum
Copyright Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich Co. LLC.
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number M26615
Solvent CDCl3

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Near IR Spectrum
Copyright Copyright © 1989, 1990-2025 Wiley-VCH GmbH. All Rights Reserved.
Source of Spectrum Prof. Buback, University of Goettingen, Germany

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Near IR Spectrum
Copyright Copyright © 1989, 1990-2025 Wiley-VCH GmbH. All Rights Reserved.
Source of Spectrum Prof. Buback, University of Goettingen, Germany

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MS (GC) Spectrum
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany

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MS (GC) Spectrum
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany

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MS (GC) Spectrum
Copyright Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Source of Spectrum DigiLab GmbH (C) 2024
Technique GC/MS

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MS (GC) Spectrum
Copyright Database Compilation Copyright © 2023-2025 John Wiley and Sons, Inc. Copyright © 2023-2025 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4

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MS (GC) Spectrum
Copyright Database Compilation Copyright © 2023-2025 John Wiley and Sons, Inc. Copyright © 2023-2025 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Source of Sample SAFC Cat.no. W267708
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)

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MS (GC) Spectrum
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum SRH-2022-7140-0

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MS (GC) Spectrum
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum SRH-2022-9649-0

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MS (GC) Spectrum
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4

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MS (GC) Spectrum
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum AA-0-654-2

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MS (GC) Spectrum
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum QE-27-SM27-4-methylacetophenone (DOI: 10.1002/chem.202102757)

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MS (GC) Spectrum
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum CV-2003-781-7

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MS (GC) Spectrum
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum SRH-2022-199-0

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MS (GC) Spectrum
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum U1-2020-SM3-2b

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MS (GC) Spectrum
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum ACI-60-SM17-31

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MS (GC) Spectrum
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Source of Spectrum Va-0-0-0

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MS (GC) Spectrum
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Source of Spectrum Va-0-0-0

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MS (GC) Spectrum
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Source of Spectrum NW-137-0-0

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MS (GC) Spectrum
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Source of Spectrum PR-310-0-0

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MS (GC) Spectrum
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Source of Spectrum AA-0-652-1

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MS (GC) Spectrum
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum I-69-430-6

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MS (GC) Spectrum
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MS (GC) Spectrum
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.

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13C NMR Spectrum
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample MCB Manufacturing Chemists, Norwood, Ohio
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian HA-100/Digilab FT-NMR-3

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13C NMR Spectrum
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent NT

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13C NMR Spectrum
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Solvent CHCl2F

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13C NMR Spectrum
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Solvent CHCl2F

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13C NMR Spectrum
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Solvent Neat liquid

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13C NMR Spectrum
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Solvent CD2Cl2

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13C NMR Spectrum
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Solvent CCl4

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13C NMR Spectrum
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Solvent CDCl3

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13C NMR Spectrum
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Solvent CDCl3

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13C NMR Spectrum
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Solvent CHCl2F

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13C NMR Spectrum
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Solvent CHCl2F

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13C NMR Spectrum
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Solvent Neat liquid

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13C NMR Spectrum
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CD2Cl2

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13C NMR Spectrum
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Solvent CCl4

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13C NMR Spectrum
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CDCl3

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13C NMR Spectrum
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Solvent CDCl3

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13C NMR Spectrum
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CHCl2F

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13C NMR Spectrum
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CHCl2F

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13C NMR Spectrum
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Solvent Neat liquid

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13C NMR Spectrum
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CD2Cl2

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13C NMR Spectrum
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Solvent CCl4

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13C NMR Spectrum
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Solvent CDCl3

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13C NMR Spectrum
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Solvent CDCl3

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13C NMR Spectrum
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CHCl2F

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13C NMR Spectrum
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CHCl2F

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13C NMR Spectrum
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Solvent Neat liquid

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13C NMR Spectrum
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CD2Cl2

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13C NMR Spectrum
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Solvent CCl4

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13C NMR Spectrum
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Solvent CDCl3

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13C NMR Spectrum
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Solvent CDCl3

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13C NMR Spectrum
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CHCl2F

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13C NMR Spectrum
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CHCl2F

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13C NMR Spectrum
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Solvent Neat liquid

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13C NMR Spectrum
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CD2Cl2

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13C NMR Spectrum
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Solvent CCl4

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13C NMR Spectrum
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Solvent CDCl3

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13C NMR Spectrum
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Solvent CDCl3

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13C NMR Spectrum
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CHCl2F

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13C NMR Spectrum
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CHCl2F

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13C NMR Spectrum
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Solvent Neat liquid

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13C NMR Spectrum
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CD2Cl2

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13C NMR Spectrum
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CCl4

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13C NMR Spectrum
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CDCl3

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13C NMR Spectrum
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CDCl3

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13C NMR Spectrum
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CHCl2F

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13C NMR Spectrum
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CHCl2F

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13C NMR Spectrum
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Solvent Neat liquid

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13C NMR Spectrum
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CD2Cl2

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13C NMR Spectrum
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CCl4

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13C NMR Spectrum
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CDCl3

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13C NMR Spectrum
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CDCl3

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13C NMR Spectrum
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CCl4

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13C NMR Spectrum
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent Unknown

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13C NMR Spectrum
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3

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13C NMR Spectrum
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3

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13C NMR Spectrum
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3

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13C NMR Spectrum
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.

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13C NMR Spectrum
Copyright Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich Co. LLC.
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number M26615
Solvent CDCl3

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17O NMR Spectrum
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CH3CN

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17O NMR Spectrum
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CH3CN

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17O NMR Spectrum
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent ACETONE

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17O NMR Spectrum
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DIOXANE

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17O NMR Spectrum
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Solvent Acetone

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17O NMR Spectrum
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Solvent Dioxane

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17O NMR Spectrum
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Solvent Acetone

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17O NMR Spectrum
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Solvent Neat liquid

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Vapor Phase IR Spectrum
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.

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Vapor Phase IR Spectrum
Copyright Copyright © 2018-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Aldrich
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number M26615

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Vapor Phase IR Spectrum
Copyright Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich Co. LLC.
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number M26615
  • 1-(4-Methylphenyl)ethanone
  • 4-Methylacetophenone
  • Methyl p-tolyl ketone
  • para-Methylacetophenone
  • 4-METHYLACETOPHENONE;1-(4-METHYLPHENYL)-ETHANONE
  • GNKZMNRKLCTJAY-UHFFFAOYSA-N
  • Acetophenone, 4'-methyl-
  • p-Methylacetophenone
  • p-Acetyltoluene
  • 1-Acetyl-4-methylbenzene
  • 1-Methyl-4-acetylbenzene
  • METHYL 4-TOLYL KETONE
  • p-TOLYL METHYL KETONE
  • 1-(4-METHYL)ETHANONE
  • ACETOPHENONE, 4*-METHYL-,
  • Ethanone, 1-(4-methylphenyl)-
  • Acetophenone <para-methyl->
  • Methyl 4-methylphenyl ketone
  • 1-(4-Methylphenyl)-1-ethanone
  • 1-(p-tolyl)ethan-1-one
  • 4-Acetyltoluene
  • Melilotal
  • p-Acetotoluene
  • Tolyl methyl ketone, p-
  • (4-Methylphenyl) methyl ketone
  • 1-(p-tolyl)ethanone
  • FEMA NO. 2677
  • EINECS 204-514-8
  • NSC 9401
  • AI3-00734
  • Acetophenone, 4-methyl-
2,2,2-trideuterio-1-(p-tolyl)ethanone
1-phenylethylideneoxidanium
Acetophenone
alpha-PHPP MS3_1
1-(4-Methylphenyl)ethanimine
4-Ethyl-benzaldehyde
PPP-M (oxo-) MS3_1
1-Phenylprop-2-yn-1-one
3-Phenyl-1-propen-3-one
1-Phenyl-2-sulfanylethanone
p-Tolylacetonitrile
Title Journal or Book Year
13C and1H nuclear magnetic resonance of methyl-substituted acetophenones and methyl benzoates: steric hindrance and inhibited conjugation Magnetic Resonance in Chemistry 2004
B-Alkyl Suzuki−Miyaura Cross-Coupling Reactions with Air-Stable Potassium Alkyltrifluoroborates The Journal of Organic Chemistry 2003
Conformational analysis. Part 25. The evaluation of molecular geometries by the lanthanide induced shift (LIS) technique Journal of the Chemical Society, Perkin Transactions 2 1995
Reactions of 4-Methyl-1-(1′-methylethyl)-4-nitrocyclohexa-2,5-dien-1-yl Acetates With Nitrogen Dioxide; Towards a Mechanism for the Formation of Polynitro Cyclohexenyl Esters on Reaction of p-Cymene With Nitrogen Dioxide in Acetic Anhydride Australian Journal of Chemistry 1989
Relationship of torsion angle to 17O n.m.r. chemical shift data for aryl ketones Journal of the Chemical Society, Chemical Communications 1986
Ab initio MO calculations and17O NMR at natural abundance ofpara-substituted acetophenones Organic Magnetic Resonance 1983
Oxygen-17 NMR studies of substituent and hydrogen-bonding effects in substituted acetophenones and benzaldehydes Journal of the American Chemical Society 1981
Nuclear magnetic resonance studies. XVI. Oxygen-17 shieldings of some substituted acetophenones Canadian Journal of Chemistry 1969

This compound is available in the following databases:

KnowItAll IR Spectral Library
Author: Wiley

Wiley's KnowItAll IR Spectral Library offers access to the world's largest collection of high-quality infrared spectra, including the renowned Sadtler databases. Learn more.

KnowItAll Raman Spectral Library
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Wiley's KnowItAll Raman Spectral Library offers access to the world's largest collection of high-quality Raman spectra, including the renowned Sadtler databases. Learn more.

Sigma-Aldrich Library of ATR-IR Spectra
Author: Sigma Aldrich

The Sigma-Aldrich Library of ATR-IR Spectra is a comprehensive collection of ATR-IR spectra sourced from the laboratories of Sigma-Aldrich by Merck KGaA Darmstadt, Germany. Learn more.

Sigma-Aldrich Library of FT-IR Spectra
Author: Sigma Aldrich

The Sigma-Aldrich Library of FT-IR Spectra is a comprehensive collection of FT-IR spectra sourced from the laboratories of Sigma-Aldrich by Merck KGaA Darmstadt, Germany. Learn more.

Sigma Aldrich NMR Library
Author: Sigma Aldrich

The Sigma-Aldrich Library of NMR Spectra is a comprehensive collection of NMR spectra for organic compounds sourced from the laboratories of Sigma-Aldrich by Merck KGaA Darmstadt, Germany. Learn more.

KnowItAll NMR Spectral Library
Author: Wiley

The KnowItAll NMR Spectral Library offers a comprehensive collection of NMR reference spectra, including NMR, CNMR, and XNMR, and covers a wide range of compounds including organics, polymers, monomers, metabolites, and more. Learn more.

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