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Benzoic acid, 2-(2-carboxyethenyl)-6-methoxy-4-methyl-, 1-methyl ester, (Z)-
SpectraBase Compound ID 990b5XFYCOe
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-PLNGDYQASA-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 11sppHnXTrs
Name Benzoic acid, 2-(2-carboxyethenyl)-6-methoxy-4-methyl-, 1-methyl ester, (Z)-
CAS Registry Number 127506-79-0
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-PLNGDYQASA-N
Molecular Weight 250.250 g/mol
SMILES OC(\C=C/c1c(c(cc(C)c1)OC)C(=O)OC)=O
SPLASH splash10-0a4i-0290000000-a460d332d47c864718be
Source of Spectrum KC-1990-309-3
Synonyms (2Z)-3-[3-methoxy-2-(methoxycarbonyl)-5-methylphenyl]-2-propenoic acid Benzoicacid, 2-[2-carboxyethenyl)-6-methoxy-4-methyl-, 1-methyl ester Macassaric acid
Wiley ID 1253099