| SpectraBase Spectrum ID |
Bp2Ziw5Crnr |
| Name |
Benzonitrile, 4-(6-amino-2,5-diphenyl-3-cyclohexen-1-yl)-, (1.alpha.,2.alpha.,5.alpha.,6.beta.)- |
| CAS Registry Number |
42715-21-9 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| 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 |
N[C@@]1([C@@]([C@@](c2ccccc2)(C=C[C@@]1(c1ccccc1)[H])[H])(c1ccc(C#N)cc1)[H])[H] |
| SPLASH |
splash10-0a4i-0090000000-8b18fefdb138e279d8ca |
| Source of Spectrum |
O7-0-619-0 |
| Synonyms |
3,6-Diphenyl-5-cis(p-cyanophenyl)-4-trans amino-cyclohexene
4-[(1S,2S,5R,6S)-6-amino-2,5-diphenyl-3-cyclohexen-1-yl]benzonitrile |
| Wiley ID |
1342355 |
