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Benzeneacetic acid, 3-hydroxy-4-methoxy-2-(1-oxo-2-propenyl)-, methyl ester
SpectraBase Compound ID 8upn3xQ9rJy
InChI InChI=1S/C13H14O5/c1-4-9(14)12-8(7-11(15)18-3)5-6-10(17-2)13(12)16/h4-6,16H,1,7H2,2-3H3
InChIKey QDAPOVSCUBDHEH-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 7Pbyec7ilMC
Name Benzeneacetic acid, 3-hydroxy-4-methoxy-2-(1-oxo-2-propenyl)-, methyl ester
CAS Registry Number 40992-07-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O5
InChI InChI=1S/C13H14O5/c1-4-9(14)12-8(7-11(15)18-3)5-6-10(17-2)13(12)16/h4-6,16H,1,7H2,2-3H3
InChIKey QDAPOVSCUBDHEH-UHFFFAOYSA-N
Molecular Weight 250.250 g/mol
SMILES Oc1c(ccc(CC(=O)OC)c1C(C=C)=O)OC
SPLASH splash10-0006-1910000000-86d7ed8a8acbff9144af
Source of Spectrum B-26-1077-23
Synonyms Methyl (2-acryloyl-3-hydroxy-4-methoxyphenyl)acetate 2-(2-acryloyl-3-hydroxy-4-methoxy-phenyl)acetic acid methyl ester 2-[3-hydroxy-4-methoxy-2-(1-oxoprop-2-enyl)phenyl]acetic acid methyl ester Methyl 2-(3-hydroxy-4-methoxy-2-prop-2-enoyl-phenyl)acetate Methyl 2-(4-methoxy-3-oxidanyl-2-prop-2-enoyl-phenyl)ethanoate
Wiley ID 1253066