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4-Acetylisocoumarin

View entire compound with spectra: 1 MS (GC)

4-Acetylisocoumarin
SpectraBase Compound ID 9eEfORdSUD1
InChI InChI=1S/C11H8O3/c1-7(12)10-6-14-11(13)9-5-3-2-4-8(9)10/h2-6H,1H3
InChIKey CDKQBDUTSTYSQN-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 E2M8oVv2vm1
Name 4-Acetylisocoumarin
Alternate Name(s) 4-Acetyl-1H-2-benzopyran-1-one 4-Acetyl-1H-isochromen-1-one 4-Acetyl-2-benzopyran-1-one 4-Acetylisochromen-1-one 4-Ethanoylisochromen-1-one
CAS Registry Number 16385-16-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H8O3
InChI InChI=1S/C11H8O3/c1-7(12)10-6-14-11(13)9-5-3-2-4-8(9)10/h2-6H,1H3
InChIKey CDKQBDUTSTYSQN-UHFFFAOYSA-N
Molecular Weight 188.182 g/mol
SMILES C1(=O)OC=C(c2ccccc12)C(=O)C
SPLASH splash10-000i-1900000000-73e9ada38bae0482a1c6
Source of Spectrum U-1997-775-3
Wiley ID 769558