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8-acetyl-7-hydroxy-4-methylcoumarin
SpectraBase Compound ID xaCM8kroyx
InChI InChI=1S/C12H10O4/c1-6-5-10(15)16-12-8(6)3-4-9(14)11(12)7(2)13/h3-5,14H,1-2H3
InChIKey WZOMQVFUPMLOGT-UHFFFAOYSA-N
Mol Weight 218.21 g/mol
Molecular Formula C12H10O4
Exact Mass 218.057909 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KuCfPQemy8O
Name Coumarin, 8-acetyl-7-hydroxy-4-methyl-
CAS Registry Number 2555-29-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H10O4
InChI InChI=1S/C12H10O4/c1-6-5-10(15)16-12-8(6)3-4-9(14)11(12)7(2)13/h3-5,14H,1-2H3
InChIKey WZOMQVFUPMLOGT-UHFFFAOYSA-N
Molecular Weight 218.208 g/mol
SMILES Oc1ccc2c(c1C(=O)C)OC(C=C2C)=O
SPLASH splash10-002e-7900000000-dbfe906f93b28b8eab89
Synonyms 4-Methyl-7-hydroxy-8-acetylcoumarin 8-Acetyl-7-hydroxy-4-methyl-1-benzopyran-2-one 8-Acetyl-7-hydroxy-4-methyl-2H-chromen-2-one 8-Acetyl-7-hydroxy-4-methyl-coumarin 8-Acetyl-7-hydroxy-4-methylchromen-2-one 8-Ethanoyl-4-methyl-7-oxidanyl-chromen-2-one
Wiley ID 1475497