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4-ACETYL-8-HYDROXY-6-METHOXY-5-METHYLISOCOUMARIN
SpectraBase Compound ID BPNyjYhv7rN
InChI InChI=1S/C13H14O5/c1-6-10(17-3)4-9(15)12-11(6)8(7(2)14)5-18-13(12)16/h4,8,15H,5H2,1-3H3
InChIKey WDZKVEWQIUSSSX-UHFFFAOYSA-N
Mol Weight 250.25 g/mol
Molecular Formula C13H14O5
Exact Mass 250.084124 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AIZkecXkqtB
Name 4-Acetyl-8-hydroxy-6-methoxy-5-methyl-isochroman-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O5
InChI InChI=1S/C13H14O5/c1-6-10(17-3)4-9(15)12-11(6)8(7(2)14)5-18-13(12)16/h4,8,15H,5H2,1-3H3
InChIKey WDZKVEWQIUSSSX-UHFFFAOYSA-N
Molecular Weight 250.250 g/mol
SMILES Oc1c2c(C(C(=O)C)COC2=O)c(C)c(c1)OC
SPLASH splash10-0006-0940000000-be197bb30dbda7a900c2
Source of Spectrum G4-59-769-2
Synonyms 4-Acetyl-8-hydroxy-6-methoxy-5-methyl-3,4-dihydro-1H-2-benzopyran-1-one 4-Acetyl-8-hydroxy-6-methoxy-5-methyl-3,4-dihydroisochromen-1-one 4-Ethanoyl-6-methoxy-5-methyl-8-oxidanyl-3,4-dihydroisochromen-1-one
Wiley ID 1606394