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2H-1-Benzopyran-5-acetic acid, 3,4-dihydro-2-methyl-4-oxo-, methyl ester
SpectraBase Compound ID HkdFAsvr0JO
InChI InChI=1S/C13H14O4/c1-8-6-10(14)13-9(7-12(15)16-2)4-3-5-11(13)17-8/h3-5,8H,6-7H2,1-2H3
InChIKey ASXHQWPWWBAJMW-UHFFFAOYSA-N
Mol Weight 234.25 g/mol
Molecular Formula C13H14O4
Exact Mass 234.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C2czvjChBZ8
Name 2H-1-Benzopyran-5-acetic acid, 3,4-dihydro-2-methyl-4-oxo-, methyl ester
CAS Registry Number 120714-38-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O4
InChI InChI=1S/C13H14O4/c1-8-6-10(14)13-9(7-12(15)16-2)4-3-5-11(13)17-8/h3-5,8H,6-7H2,1-2H3
InChIKey ASXHQWPWWBAJMW-UHFFFAOYSA-N
Molecular Weight 234.251 g/mol
SMILES CC1CC(c2c(cccc2O1)CC(=O)OC)=O
SPLASH splash10-0uk9-0950000000-f3a2d2afaecb77acca23
Source of Spectrum B-41-548-8
Synonyms Methyl (2-methyl-4-oxo-3,4-dihydro-2H-chromen-5-yl)acetate 2-(2-Methyl-4-oxo-3,4-dihydro-2H-1-benzopyran-5-yl)acetic acid methyl ester 2-(4-keto-2-methyl-chroman-5-yl)acetic acid methyl ester Methyl 2-(2-methyl-4-oxidanylidene-2,3-dihydrochromen-5-yl)ethanoate Methyl 2-(2-methyl-4-oxo-2,3-dihydrochromen-5-yl)acetate Methyl 2-(2-methyl-4-oxo-chroman-5-yl)acetate
Wiley ID 1235890