| SpectraBase Spectrum ID |
9YQBFSbrR2h |
| Name |
(Z)-2-Cyano-3-phenyl-3-ureido-acrylic acid methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
245.080041223 u |
| Formula |
C12H11N3O3 |
| InChI |
InChI=1S/C12H11N3O3/c1-18-11(16)9(7-13)10(15-12(14)17)8-5-3-2-4-6-8/h2-6H,1H3,(H3,14,15,17)/b10-9- |
| InChIKey |
BCEKSJRUQMBFMV-KTKRTIGZSA-N |
| Molecular Weight |
245.238 g/mol |
| SMILES |
C(N\C(=C/(C(=O)OC)C#N)C=1C=CC=CC1)(=O)N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.818203 |
