| SpectraBase Spectrum ID |
10Ijl1s3Cks |
| Name |
(2S,3S)-1-Cyclohexyl-3-phenyl-ethylenimine-2-carbonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
226.146998588 u |
| Formula |
C15H18N2 |
| InChI |
InChI=1S/C15H18N2/c16-11-14-15(12-7-3-1-4-8-12)17(14)13-9-5-2-6-10-13/h1,3-4,7-8,13-15H,2,5-6,9-10H2/t14-,15+,17?/m1/s1 |
| InChIKey |
GOBOPBPZTLDHJT-CKDQBVIESA-N |
| Molecular Weight |
226.323 g/mol |
| SMILES |
[C@]1(N([C@]1(C1=CC=CC=C1)[H])C1CCCCC1)(C#N)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.836235 |
