| SpectraBase Spectrum ID |
4UfSMsgfqBp |
| Name |
Benzonitrile, 3-(2-cyano-2-phenylethenyl) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
230.084398330 u |
| Formula |
C16H10N2 |
| InChI |
InChI=1S/C16H10N2/c17-11-14-6-4-5-13(9-14)10-16(12-18)15-7-2-1-3-8-15/h1-10H/b16-10+ |
| InChIKey |
CXJKVFRICVKGEU-MHWRWJLKSA-N |
| Molecular Weight |
230.270 g/mol |
| SMILES |
C1(=CC(=CC=C1)C#N)\C=C/(C#N)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.850724 |
