| SpectraBase Spectrum ID |
B4tIYH74Zz5 |
| Name |
(2S*,3S*,5S*)-1-Butyl-3-cyano-2,5-diphenylpyrrolidine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
304.193948781 u |
| Formula |
C21H24N2 |
| InChI |
InChI=1S/C21H24N2/c1-2-3-14-23-20(17-10-6-4-7-11-17)15-19(16-22)21(23)18-12-8-5-9-13-18/h4-13,19-21H,2-3,14-15H2,1H3/t19-,20+,21-/m1/s1 |
| InChIKey |
MOQGHVFCRRJRMT-QHAWAJNXSA-N |
| SMILES |
[C@]1(N([C@@]([C@](C1)(C#N)[H])(C1=CC=CC=C1)[H])CCCC)(C=1C=CC=CC1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.885084 |
