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3-[(3,4-Dimethoxyphenethyl)carbamoyl]crotonic acid

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

3-[(3,4-Dimethoxyphenethyl)carbamoyl]crotonic acid
SpectraBase Compound ID IT8RlYHNdqx
InChI InChI=1S/C15H19NO5/c1-10(8-14(17)18)15(19)16-7-6-11-4-5-12(20-2)13(9-11)21-3/h4-5,8-9H,6-7H2,1-3H3,(H,16,19)(H,17,18)
InChIKey OZAFLYWTXGCQIF-UHFFFAOYSA-N
Mol Weight 293.32 g/mol
Molecular Formula C15H19NO5
Exact Mass 293.126323 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 5cPyBAFswYu
Name 3-[(3,4-Dimethoxyphenethyl)carbamoyl]crotonic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 293.126322711 u
Formula C15H19NO5
InChI InChI=1S/C15H19NO5/c1-10(8-14(17)18)15(19)16-7-6-11-4-5-12(20-2)13(9-11)21-3/h4-5,8-9H,6-7H2,1-3H3,(H,16,19)(H,17,18)
InChIKey OZAFLYWTXGCQIF-UHFFFAOYSA-N
Molecular Weight 293.319 g/mol
SMILES N(C(C(=CC(=O)O)C)=O)CCC=1C=C(C(=CC1)OC)OC
Spectrum/Structure Validation Score (Raman) 0.968812