| SpectraBase Spectrum ID |
6D0Vu8u87Wo |
| Name |
(1S*,4S*,5R*)-3-Benzyl-1-phenethyl-4-phenyl-3-azabicyclo[3.1.0]hexane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
353.214349873 u |
| Formula |
C26H27N |
| InChI |
InChI=1S/C26H27N/c1-4-10-21(11-5-1)16-17-26-18-24(26)25(23-14-8-3-9-15-23)27(20-26)19-22-12-6-2-7-13-22/h1-15,24-25H,16-20H2/t24-,25+,26+/m0/s1 |
| InChIKey |
AVEBDHWUJDYFOR-JIMJEQGWSA-N |
| Molecular Weight |
353.509 g/mol |
| SMILES |
[C@]12([C@]([C@](N(C2)CC=2C=CC=CC2)(C=2C=CC=CC2)[H])(C1)[H])CCC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.842834 |
![(1S*,4S*,5R*)-3-Benzyl-1-phenethyl-4-phenyl-3-azabicyclo[3.1.0]hexane](/api/spectrum/6D0Vu8u87Wo/structure.png?h=300&w=458 "(1S*,4S*,5R*)-3-Benzyl-1-phenethyl-4-phenyl-3-azabicyclo[3.1.0]hexane")
