| SpectraBase Spectrum ID |
D8q4NsKJ6q6 |
| Name |
(2-Cyanophenyl) (E)-3-phenylprop-2-enoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
249.078978596 u |
| Formula |
C16H11NO2 |
| InChI |
InChI=1S/C16H11NO2/c17-12-14-8-4-5-9-15(14)19-16(18)11-10-13-6-2-1-3-7-13/h1-11H/b11-10+ |
| InChIKey |
GMJQXHCKJUMABM-ZHACJKMWSA-N |
| Molecular Weight |
249.269 g/mol |
| SMILES |
C(#N)C=1C(OC(\C=C\C=2C=CC=CC2)=O)=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.819062 |
