| SpectraBase Spectrum ID |
EndJzGefHe |
| Name |
(E)-3-Chloro-2-cyano-3-phenyl-2-propenoic acid ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
235.040006264 u |
| Formula |
C12H10ClNO2 |
| InChI |
InChI=1S/C12H10ClNO2/c1-2-16-12(15)10(8-14)11(13)9-6-4-3-5-7-9/h3-7H,2H2,1H3/b11-10+ |
| InChIKey |
HJZQRZCRZCQMDQ-ZHACJKMWSA-N |
| Molecular Weight |
235.670 g/mol |
| SMILES |
C1(\C(=C/(C(=O)OCC)C#N)Cl)=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.856074 |
