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Quinoline
SpectraBase Compound ID GJHDdXyTOHv
InChI InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H
InChIKey SMWDFEZZVXVKRB-UHFFFAOYSA-N
Mol Weight 129.16 g/mol
Molecular Formula C9H7N
Exact Mass 129.057849 g/mol
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Technique Neat
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Technique CAPILLARY CELL: NEAT
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Source of Sample Alfa Aesar, Thermo Fisher Scientific
Source of Spectrum Bio-Rad Laboratories, Inc.
Catalog Number 43225
Technique Neat
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Technique Cell
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Source of Sample Merck
Technique Layer between KBr
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Source of Sample Matheson Gas Products
Technique NEAT
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Source of Sample The Matheson Company, Inc., East Rutherford, New Jersey
Technique CAPILLARY CELL: NEAT
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Source of Sample Sigma-Aldrich Co. LLC.
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number W347000
Technique Between salts
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Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number W347000
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Source of Spectrum Forensic Spectral Research
Catalog Number 241571
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Source of Sample TCI Chemicals India Pvt. Ltd.
Source of Spectrum Bio-Rad Laboratories, Inc.
Catalog Number 43225
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Source of Sample Aldrich
Catalog Number Q1255
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Source of Sample Alfa Aesar, Thermo Fisher Scientific
Source of Spectrum Bio-Rad Laboratories, Inc.
Catalog Number 43225
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Source of Sample Sigma-Aldrich Company Llc.
Source of Spectrum Forensic Spectral Research
Catalog Number 241571
Copyright Copyright © 2017-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2017-2025 John Wiley & Sons, Inc. All Rights Reserved.
Catalog Number 241571
Copyright Copyright © 1989, 1990-2025 Wiley-VCH GmbH. All Rights Reserved.
Source of Spectrum Prof. Buback, University of Goettingen, Germany
Copyright Copyright © 1989, 1990-2025 Wiley-VCH GmbH. All Rights Reserved.
Source of Spectrum Prof. Buback, University of Goettingen, Germany
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
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 241571
Copyright Copyright © 2023-2025 Wiley-VCH GmbH. All Rights Reserved.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
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Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany
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Source of Spectrum DigiLab GmbH (C) 2024
Technique GC/MS
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Source of Spectrum DigiLab GmbH (C) 2024
Technique GC/MS
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. W347000
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
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Source of Spectrum HE-1986-781-0
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Source of Spectrum SRH-2022-1634-0
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Source of Spectrum SRH-2022-7402-0
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Source of Spectrum SRH-2022-8861-0
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum H-84-2921-0
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum J-55-1749-3
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Source of Spectrum MC-0-105-0
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Source of Spectrum AA-0-579-2
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Source of Spectrum EK-1999-411-0
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Source of Spectrum W5-0-0-0
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum MV-1986-33-0
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Source of Spectrum D5-0-0-0
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Source of Spectrum JZ-1992-947-0
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Source of Spectrum X-11-399-1
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Source of Spectrum O7-0-177-0
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Source of Spectrum SRH-2022-486-0
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum SRH-2022-3494-0
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum SRH-2022-10830-0
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Source of Spectrum CSC-15-SM10-1
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum G4-84-528-1
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 CFT-20
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Solvent CDCl3
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Solvent CDCl3
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Solvent H2O
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Solvent Acetone-D6
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Solvent H2O
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Solvent CDCl3
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Solvent CCl4
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Solvent DMSO-D6
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Solvent CDCl3
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Solvent CDCl3
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Solvent H2O
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Solvent Acetone-D6
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Solvent CDCl3
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Solvent H2O
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Solvent CDCl3
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Solvent CDCl3
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Solvent CCl4
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Solvent DMSO-D6
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Solvent DMSO-D6
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Solvent CDCl3
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Solvent CDCl3
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Solvent H2O
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Solvent Acetone-D6
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Solvent CDCl3
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Solvent H2O
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Solvent CDCl3
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Solvent CDCl3
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Solvent CCl4
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Solvent DMSO-D6
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Solvent DMSO-D6
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Solvent CDCl3
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Solvent neat
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Solvent CDCl3
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Solvent H2O
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Solvent Acetone-D6
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Solvent CDCl3
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Solvent H2O
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Solvent CDCl3
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Solvent CDCl3
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Solvent CCl4
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Solvent DMSO-D6
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Solvent DMSO-D6
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Solvent CDCl3
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Solvent Cyclohex-D12
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Solvent CDCl3
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Solvent H2O
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Solvent Acetone-D6
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Solvent CDCl3
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Solvent H2O
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Solvent CDCl3
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Solvent CDCl3
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Solvent CCl4
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Solvent DMSO-D6
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Solvent CDCl3
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Solvent CDCl3
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Solvent H2O
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Solvent Acetone-D6
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Solvent CDCl3
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Solvent H2O
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Solvent CDCl3
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Solvent CDCl3
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Solvent CCl4
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Solvent DMSO-D6
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Solvent DMSO-D6
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Solvent CDCl3
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Solvent not reported
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Solvent CDCl3
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Solvent H2O
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Solvent Acetone-D6
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Solvent CDCl3
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Solvent H2O
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Solvent CDCl3
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Solvent CDCl3
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Solvent CCl4
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Solvent DMSO-D6
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Solvent DMSO-D6
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Solvent CDCl3
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Solvent CDCl3
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Solvent H2O
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Solvent Acetone-D6
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Solvent CDCl3
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Solvent H2O
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Solvent CDCl3
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Solvent CDCl3
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Solvent CCl4
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Solvent DMSO-D6
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Solvent DMSO-D6
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Solvent CDCl3
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Solvent CDCl3 chloroform-d
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Solvent CDCl3
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Solvent H2O
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Solvent Acetone-D6
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Solvent CDCl3
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Solvent H2O
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Solvent CDCl3
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Solvent CDCl3
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Solvent CCl4
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Solvent DMSO-D6
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Solvent DMSO-D6
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Solvent CDCl3
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Solvent CDCl3
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Solvent H2O
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Solvent Acetone-D6
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Solvent CDCl3
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Solvent H2O
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Solvent CDCl3
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Solvent CDCl3
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Solvent CCl4
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Solvent DMSO-D6
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Solvent DMSO-D6
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Solvent CDCl3
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent Unknown
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent Unknown
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent Unknown
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6
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 254010
Solvent CDCl3
Copyright Copyright © 2009-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample The Matheson Company, Inc., East Rutherford, New Jersey
Solvent CCl4
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 254010
Solvent CDCl3
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO;CR(ACAC)3=0.01M
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6
  • 2,3-Benzopyridine
  • 1-Benzazine
  • Leucoline
  • Benzo[b]pyridine
  • 1-Azanaphthalene
  • Chinoleine
  • Chinolin
  • Quinolin
  • QUINOLINE;BENZOPYRIDINE
  • SMWDFEZZVXVKRB-UHFFFAOYSA-N
  • Isoquinoline
  • Azanaphthalene <1->
  • Saquinavir artifact-1 (quinoline)
  • Benzopyridine
  • USAF ek-218
  • Leucol
  • Leukol
  • 1-Benzine
  • Chinoline
  • CCRIS 547
  • HSDB 121
  • FEMA NO. 3470
  • EINECS 202-051-6
  • NSC 3396
  • UN2656
  • AI3-01241
  • B-500
Title Journal or Book Year
On the accuracy of the GIAO-DFT calculation of15N NMR chemical shifts of the nitrogen-containing heterocycles - a gateway to better agreement with experiment at lower computational cost Magnetic Resonance in Chemistry 2014
Substituent effects of theN,N-dimethyl- sulfamoyl group on the1H and13C NMR spectra of positional isomers of quinolines Magnetic Resonance in Chemistry 2008
NMR spectra of nitrogen-containing compounds. Correlations between experimental and GIAO calculated data Magnetic Resonance in Chemistry 1999
15N NMR spectroscopy of some azines Organic Magnetic Resonance 1984
13C and some 15N N.M.R. spectra of heteroaromatic molecules containing bridgehead nitrogen atoms Australian Journal of Chemistry 1980
Single-Frequency Proton Decoupling in 13C N.M.R. Spectra. 13C Chemical Shifts and Methyl Substituent Chemical Shifts in Methylquinolines Australian Journal of Chemistry 1979
Carbon-13 nuclear magnetic resonance spectrum of methaqualone Journal of Heterocyclic Chemistry 1978
Carbon-13 nuclear magnetic resonance spectra of potent antimalarials: Primaquine and chloroquine Journal of Heterocyclic Chemistry 1978
Carbon-13 NMR studies of quinolines and isoquinolines. II. Chlorine-nitrogen interactions andN-oxide effects Organic Magnetic Resonance 1978
Carbon-13 n.m.r. studies of methylquinolines and methylisoquinolines Organic Magnetic Resonance 1977
13C nuclear magnetic resonance studies of some fluorinated and trifluoromethylated aromatic compounds. Studies on13C–19F coupling constants J. Chem. Soc., Perkin Trans. 2 1976
Carbon-13 magnetic resonance. XIV. Aza-analogs of polycyclic aromatic hydrocarbons Journal of the American Chemical Society 1969

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