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3-[(5-Chloro-2,4-dimethoxyphenyl)carbamoyl]acrylic acid

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 Raman

3-[(5-Chloro-2,4-dimethoxyphenyl)carbamoyl]acrylic acid
SpectraBase Compound ID IKvVC3epx78
InChI InChI=1S/C12H12ClNO5/c1-18-9-6-10(19-2)8(5-7(9)13)14-11(15)3-4-12(16)17/h3-6H,1-2H3,(H,14,15)(H,16,17)
InChIKey OMMWQXYUXSUUCA-UHFFFAOYSA-N
Mol Weight 285.68 g/mol
Molecular Formula C12H12ClNO5
Exact Mass 285.0404 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 7mhK4B8NiWj
Name 3-[(5-Chloro-2,4-dimethoxyphenyl)carbamoyl]acrylic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 285.040400185 u
Formula C12H12ClNO5
InChI InChI=1S/C12H12ClNO5/c1-18-9-6-10(19-2)8(5-7(9)13)14-11(15)3-4-12(16)17/h3-6H,1-2H3,(H,14,15)(H,16,17)
InChIKey OMMWQXYUXSUUCA-UHFFFAOYSA-N
SMILES C=1C(Cl)=C(C=C(C1NC(=O)C=CC(=O)O)OC)OC
Spectrum/Structure Validation Score (Raman) 0.771532