| SpectraBase Spectrum ID |
BPvRqeO3hhF |
| Name |
3-(4-Benzyloxy-phenyl)-2-cyano-acrylic acid methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
293.105193344 u |
| Formula |
C18H15NO3 |
| InChI |
InChI=1S/C18H15NO3/c1-21-18(20)16(12-19)11-14-7-9-17(10-8-14)22-13-15-5-3-2-4-6-15/h2-11H,13H2,1H3/b16-11- |
| InChIKey |
UBGMIYYOECTRDC-WJDWOHSUSA-N |
| SMILES |
C1(\C=C/(C(OC)=O)C#N)=CC=C(OCC2=CC=CC=C2)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.956822 |
