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Benzoic acid, 2-(2-carboxyethenyl)-6-methoxy-4-methyl-, 1-methyl ester, (E)-

View entire compound with spectra: 1 MS (GC)

Benzoic acid, 2-(2-carboxyethenyl)-6-methoxy-4-methyl-, 1-methyl ester, (E)-
SpectraBase Compound ID 6Cio5rSRU7r
InChI InChI=1S/C13H14O5/c1-8-6-9(4-5-11(14)15)12(13(16)18-3)10(7-8)17-2/h4-7H,1-3H3,(H,14,15)/b5-4+
InChIKey ATJFASRWRPLFTM-SNAWJCMRSA-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 3mK8Cqf794a
Name Benzoic acid, 2-(2-carboxyethenyl)-6-methoxy-4-methyl-, 1-methyl ester, (E)-
CAS Registry Number 127506-84-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O5
InChI InChI=1S/C13H14O5/c1-8-6-9(4-5-11(14)15)12(13(16)18-3)10(7-8)17-2/h4-7H,1-3H3,(H,14,15)/b5-4+
InChIKey ATJFASRWRPLFTM-SNAWJCMRSA-N
Molecular Weight 250.250 g/mol
SMILES OC(\C=C\c1c(c(cc(C)c1)OC)C(=O)OC)=O
SPLASH splash10-0a4i-0190000000-11bab596cff593867cd4
Source of Spectrum KC-1990-309-15
Synonyms (2E)-3-[3-methoxy-2-(methoxycarbonyl)-5-methylphenyl]-2-propenoic acid 3-Methoxy-2-methoxycarbonyl-5-methyl-trans-cinnamicacid
Wiley ID 1253101