3-Acetylcoumarin
Compound with spectra: 7 NMR, 4 FTIR, 2 Raman, 2 UV-Vis, and 3 MS (GC)
| SpectraBase Compound ID | BCqOwMrcTLc |
|---|---|
| InChI | InChI=1S/C11H8O3/c1-7(12)9-6-8-4-2-3-5-10(8)14-11(9)13/h2-6H,1H3 |
| InChIKey | CSPIFKKOBWYOEX-UHFFFAOYSA-N |
| Mol Weight | 188.18 g/mol |
| Molecular Formula | C11H8O3 |
| Exact Mass | 188.047344 g/mol |
| Copyright | Copyright © 2012-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Indofine Chemical Company, Inc. |
| Source of Spectrum | Forensic Spectral Research |
| Catalog Number | A-103 |
| Copyright | Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Aldrich |
| Catalog Number | 214671 |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Aldrich Chemical Company, Inc., Milwaukee, Wisconsin |
| Solvent | Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Sigma-Aldrich Co. LLC. |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Catalog Number | 214671 |
| Solvent | CDCl3 |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | H. Wamhoff, University of Bonn, Bonn, Germany |
| Solvent | CDCl3 |
| Copyright | Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Solvent | DMSO-d6 |
| Copyright | Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Sigma-Aldrich Co. LLC. |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Catalog Number | 214671 |
| Solvent | CDCl3 |
| Copyright | Copyright © 2014-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Indofine Chemical Company, Inc. |
| Source of Spectrum | Forensic Spectral Research |
| Catalog Number | A-103 |
| Copyright | Copyright © 2017-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2017-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Catalog Number | 214671 |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | H. Wamhoff, University of Bonn, Bonn, Germany |
| Technique | KBr WAFER |
| Copyright | Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Aldrich |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Catalog Number | 214671 |
| Technique | Mull |
| Copyright | Copyright © 2008-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Solvent | Methanol |
| Copyright | Copyright © 2008-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Solvent | Methanol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | C5-2003-559-6 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | JX-2015-5-98 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | Y-47-184-1 |
- COUMARIN, 3-ACETYL-,
- CSPIFKKOBWYOEX-UHFFFAOYSA-N
- 3-ACETYL-2H-1-BENZOPYRAN-2-ONE
- 2H-1-benzopyran-2-one, 3-acetyl-
2-oxo-2H-1-benzopyran-3-carboxylic acid
2-oxo-2H-1-benzopyran-3-carboxamide
3-tert-Butyl-1-benzopyran-2-one
3-Butyl-1-benzopyran-2-one
3-Ethoxymethylcoumarin
3-(Trifluoromethyl)-2H-1-benzopyran-2-one
3-[(N,N-Dimethylamino)methyl]coumarin
3-Isopropoxymethylcoumarin
4-(2,4-DIMETHOXYPHENYL)-3-ETHOXYCARBONYL-3-BUTEN-2-ONE;MAJOR_ISOMER
(4Z)-4-(2-Methoxybenzylidene)-3-methyl-5(4H)-isoxazolone
| Title | Journal or Book | Year |
|---|---|---|
| Synthesis and in Vitro Antioxidant Activity Evaluation of 3-Carboxycoumarin Derivatives and QSAR Study of Their DPPH• Radical Scavenging Activity | Molecules | 2012 |
This compound is available in the following databases:
Sigma-Aldrich Library of Raman Spectra
Author: Wiley/Sigma-Aldrich
Wiley, on behalf of Merck KGaA Darmstadt, Germany, releases the Sigma-Aldrich Library of Raman Spectra, featuring over 6,480 high-quality Raman spectra. Learn more.
KnowItAll NMR Spectral Library
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KnowItAll IR, Raman, and UV-Vis Spectral Libraries
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KnowItAll Mass Spectral Library
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Wiley Registry of Mass Spectral Data 2023
Author: Wiley
The foundation library for any analytical laboratory running mass spectrometry, the Wiley Registry provides the broadest coverage available in any mass spectral library Learn more.