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3-Acetylcoumarin

View entire compound with spectra: 7 NMR, 4 FTIR, 2 Raman, 2 UV-Vis, and 3 MS (GC)

3-Acetylcoumarin
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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2utqGJlT5KM
Name 3-Acetylcoumarin
Alternate Name(s) 3-Acetyl-1-benzopyran-2-one 3-Acetyl-2H-chromen-2-one 2H-1-Benzopyran-2-one, 3-acetyl- 3-Acetylchromen-2-one 3-Acetylcoumarine 3-Ethanoylchromen-2-one Coumarin, 3-acetyl-
CAS Registry Number 3949-36-8
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H8O3
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
Molecular Weight 188.182 g/mol
SMILES C=1(C(Oc2c(C1)cccc2)=O)C(=O)C
SPLASH splash10-000l-4900000000-43c103d6bce2e72bcdce
Source of Spectrum Y-47-184-1
Wiley ID 1667128