| SpectraBase Spectrum ID |
KdoaCmlEdaR |
| Name |
2-[[(Z)-2-benzamido-3-(4-fluorophenyl)-1-oxoprop-2-enyl]amino]propanoic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
356.117235194 u |
| Formula |
C19H17FN2O4 |
| InChI |
InChI=1S/C19H17FN2O4/c1-12(19(25)26)21-18(24)16(11-13-7-9-15(20)10-8-13)22-17(23)14-5-3-2-4-6-14/h2-12H,1H3,(H,21,24)(H,22,23)(H,25,26)/b16-11- |
| InChIKey |
TVVKFADETYGQFE-WJDWOHSUSA-N |
| Molecular Weight |
356.353 g/mol |
| SMILES |
C1=C(C=CC=C1)C(N\C(=C/C1=CC=C(C=C1)F)C(NC(C)C(O)=O)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.889006 |
![2-[[(Z)-2-benzamido-3-(4-fluorophenyl)-1-oxoprop-2-enyl]amino]propanoic acid](/api/spectrum/KdoaCmlEdaR/structure.png?h=300&w=458 "2-[[(Z)-2-benzamido-3-(4-fluorophenyl)-1-oxoprop-2-enyl]amino]propanoic acid")
