| SpectraBase Spectrum ID |
2FAURkLHaaZ |
| Name |
5-(Benzylimino)-5-phenylpentanenitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
262.146998588 u |
| Formula |
C18H18N2 |
| InChI |
InChI=1S/C18H18N2/c19-14-8-7-13-18(17-11-5-2-6-12-17)20-15-16-9-3-1-4-10-16/h1-6,9-12H,7-8,13,15H2/b20-18+ |
| InChIKey |
SBPCYMQSEJPWML-CZIZESTLSA-N |
| Molecular Weight |
262.356 g/mol |
| SMILES |
C=1C=C(\C(CCCC#N)=N\CC2=CC=CC=C2)C=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.977671 |
