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(2E)-2-Cyano-3-(3,4-dimethoxyphenyl)-2-propenoic acid
SpectraBase Compound ID 15ewltkRUC0
InChI InChI=1S/C12H11NO4/c1-16-10-4-3-8(6-11(10)17-2)5-9(7-13)12(14)15/h3-6H,1-2H3,(H,14,15)/b9-5+
InChIKey DMACYVMZKYRYSL-WEVVVXLNSA-N
Mol Weight 233.22 g/mol
Molecular Formula C12H11NO4
Exact Mass 233.068808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IVqWYE5jEwL
Name (2E)-2-Cyano-3-(3,4-dimethoxyphenyl)-2-propenoic acid
CAS Registry Number 86213-20-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11NO4
InChI InChI=1S/C12H11NO4/c1-16-10-4-3-8(6-11(10)17-2)5-9(7-13)12(14)15/h3-6H,1-2H3,(H,14,15)/b9-5+
InChIKey DMACYVMZKYRYSL-WEVVVXLNSA-N
Molecular Weight 233.223 g/mol
SMILES OC(=O)\C(=C\c1cc(c(cc1)OC)OC)C#N
SPLASH splash10-001i-6790000000-b1de0ff0bfa673dfbc3e
Source of Spectrum AD-0-2532-0
Synonyms (E)-2-cyano-3-(3,4-dimethoxyphenyl)-2-propenoic acid (E)-2-cyano-3-(3,4-dimethoxyphenyl)acrylic acid (E)-2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enoic acid 2-Cyano-3-(3,4-dimethoxyphenyl)-2-propenoic acid Propanedioic acid, mononitrile, 2-(3,4-dimethoxybenzylideno)-
Wiley ID 1425298