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2H-1-Benzopyran-5-acetic acid, 3,4-dihydro-7-hydroxy-2-methyl-4-oxo-, methyl ester
SpectraBase Compound ID E7Lkj4WwzO7
InChI InChI=1S/C13H14O5/c1-7-3-10(15)13-8(5-12(16)17-2)4-9(14)6-11(13)18-7/h4,6-7,14H,3,5H2,1-2H3
InChIKey WBEBGQGDQDPWQH-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 GIAJ2sGZfsE
Name 2H-1-Benzopyran-5-acetic acid, 3,4-dihydro-7-hydroxy-2-methyl-4-oxo-, methyl ester
Alternate Name(s) Methyl (7-hydroxy-2-methyl-4-oxo-3,4-dihydro-2H-chromen-5-yl)acetate 2-(7-hydroxy-2-methyl-4-oxo-3,4-dihydro-2H-1-benzopyran-5-yl)acetic acid methyl ester 2-(7-hydroxy-4-keto-2-methyl-chroman-5-yl)acetic acid methyl ester Methyl 2-(2-methyl-7-oxidanyl-4-oxidanylidene-2,3-dihydrochromen-5-yl)ethanoate Methyl 2-(7-hydroxy-2-methyl-4-oxo-2,3-dihydrochromen-5-yl)acetate Methyl 2-(7-hydroxy-2-methyl-4-oxo-chroman-5-yl)acetate
CAS Registry Number 120714-36-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O5
InChI InChI=1S/C13H14O5/c1-7-3-10(15)13-8(5-12(16)17-2)4-9(14)6-11(13)18-7/h4,6-7,14H,3,5H2,1-2H3
InChIKey WBEBGQGDQDPWQH-UHFFFAOYSA-N
Molecular Weight 250.250 g/mol
SMILES Oc1cc(CC(=O)OC)c2c(c1)OC(C)CC2=O
SPLASH splash10-00kf-0950000000-08a63f7b4f29d652d507
Source of Spectrum B-41-547-6
Wiley ID 1253083