| SpectraBase Spectrum ID |
Kiq0nrqnz6Q |
| Name |
Benzonitrile, 4-(6-amino-2,5-diphenyl-3-cyclohexen-1-yl)-, (1.alpha.,2.alpha.,5.alpha.,6.beta.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
350.178298716 u |
| Formula |
C25H22N2 |
| InChI |
InChI=1S/C25H22N2/c26-17-18-11-13-21(14-12-18)24-22(19-7-3-1-4-8-19)15-16-23(25(24)27)20-9-5-2-6-10-20/h1-16,22-25H,27H2/t22-,23-,24-,25+/m1/s1 |
| InChIKey |
KHFQXSWPZHONHW-VPBXCIAMSA-N |
| Molecular Weight |
350.465 g/mol |
| SMILES |
[C@@]1([C@@]([C@@](C2=CC=CC=C2)(C=C[C@@]1(C=1C=CC=CC1)[H])[H])(C=1C=CC(C#N)=CC1)[H])(N)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.959456 |
