| SpectraBase Spectrum ID |
6aNvCIPB6fI |
| Name |
(Z)-4-Cyano-5-phenyl-4-pentenoic acid ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
229.110278725 u |
| Formula |
C14H15NO2 |
| InChI |
InChI=1S/C14H15NO2/c1-2-17-14(16)9-8-13(11-15)10-12-6-4-3-5-7-12/h3-7,10H,2,8-9H2,1H3/b13-10- |
| InChIKey |
QRFREGPHSMUMJD-RAXLEYEMSA-N |
| Molecular Weight |
229.279 g/mol |
| SMILES |
C(CC\C(=C\C=1C=CC=CC1)C#N)(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.967311 |
