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3-Methylisocoumarin

View entire compound with spectra: 1 NMR, and 2 MS (GC)

3-Methylisocoumarin
SpectraBase Compound ID DkD92UYvAS9
InChI InChI=1S/C10H8O2/c1-7-6-8-4-2-3-5-9(8)10(11)12-7/h2-6H,1H3
InChIKey KDNBBIYFOJMAEN-UHFFFAOYSA-N
Mol Weight 160.17 g/mol
Molecular Formula C10H8O2
Exact Mass 160.052429 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID gIUr5lQBw1
Name 3-Methyl-1H-2-benzopyran-1-one
CAS Registry Number 29539-21-7
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H8O2
InChI InChI=1S/C10H8O2/c1-7-6-8-4-2-3-5-9(8)10(11)12-7/h2-6H,1H3
InChIKey KDNBBIYFOJMAEN-UHFFFAOYSA-N
Molecular Weight 160.172 g/mol
SMILES C1(OC(C)=Cc2c1cccc2)=O
SPLASH splash10-03di-0900000000-24de93370946b13be974
Source of Spectrum J-53-4680-33
Synonyms 3-Methyl-2-benzopyran-1-one 3-Methylisochromen-1-one 3-Methylisocoumarin
Wiley ID 1157022