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(2E)-2-(4-Chlorophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enoic acid

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

(2E)-2-(4-Chlorophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enoic acid
SpectraBase Compound ID BPTciMbXd7p
InChI InChI=1S/C17H15ClO4/c1-21-15-8-3-11(10-16(15)22-2)9-14(17(19)20)12-4-6-13(18)7-5-12/h3-10H,1-2H3,(H,19,20)/b14-9+
InChIKey WCJPFPPDBRDWAI-NTEUORMPSA-N
Mol Weight 318.76 g/mol
Molecular Formula C17H15ClO4
Exact Mass 318.065887 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FXtXmTHXltO
Name (2E)-2-(4-Chlorophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enoic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 318.065886659 u
Formula C17H15ClO4
InChI InChI=1S/C17H15ClO4/c1-21-15-8-3-11(10-16(15)22-2)9-14(17(19)20)12-4-6-13(18)7-5-12/h3-10H,1-2H3,(H,19,20)/b14-9+
InChIKey WCJPFPPDBRDWAI-NTEUORMPSA-N
Molecular Weight 318.756 g/mol
SMILES C(\C(=C\C=1C=C(C(=CC1)OC)OC)C=1C=CC(=CC1)Cl)(=O)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.976196