| SpectraBase Spectrum ID |
DLYq3CF9b4H |
| Name |
2-Propenoic acid, 2-cyano-3-(3-phenylphenyl)-, ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
277.110278725 u |
| Formula |
C18H15NO2 |
| InChI |
InChI=1S/C18H15NO2/c1-2-21-18(20)17(13-19)12-14-7-6-10-16(11-14)15-8-4-3-5-9-15/h3-12H,2H2,1H3/b17-12+ |
| InChIKey |
VJNUWPIZALRAAC-SFQUDFHCSA-N |
| SMILES |
C1=C(C=CC=C1C1=CC=CC=C1)\C=C\(C(OCC)=O)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.815264 |
