SpectraBase Spectrum ID |
AQ1ojwgxpw |
Name |
3-[(p-Acetylphenyl)carbamoyl]acrylic acid |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
233.068807834 u |
Formula |
C12H11NO4 |
InChI |
InChI=1S/C12H11NO4/c1-8(14)9-2-4-10(5-3-9)13-11(15)6-7-12(16)17/h2-7H,1H3,(H,13,15)(H,16,17) |
InChIKey |
CWSPWHGWDJSNIB-UHFFFAOYSA-N |
Molecular Weight |
233.223 g/mol |
SMILES |
N(C1=CC=C(C=C1)C(C)=O)C(C=CC(O)=O)=O |
Spectrum/Structure Validation Score (Raman) |
0.932913 |