| SpectraBase Spectrum ID |
HuNn1sEFtLI |
| Name |
(-)-(2S)-(Z)-N,N-dibenzyl-4-chloro-3-(propylimino)butan-2-amine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
342.186276577 u |
| Formula |
C21H27ClN2 |
| InChI |
InChI=1S/C21H27ClN2/c1-3-14-23-21(15-22)18(2)24(16-19-10-6-4-7-11-19)17-20-12-8-5-9-13-20/h4-13,18H,3,14-17H2,1-2H3/b23-21-/t18-/m0/s1 |
| InChIKey |
YRVXATPPKVYWON-NKWDDMGQSA-N |
| Molecular Weight |
342.914 g/mol |
| SMILES |
[C@](N(CC1=CC=CC=C1)CC=1C=CC=CC1)(\C(=N/CCC)CCl)(C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961594 |
