| SpectraBase Spectrum ID |
CyoSqOz6uX7 |
| Name |
(1S,2S)-(+)-(E)-1-chloro-N-(4-methoxybenzylidene)-1-phenyl-2-propylamine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
287.107691903 u |
| Formula |
C17H18ClNO |
| InChI |
InChI=1S/C17H18ClNO/c1-13(17(18)15-6-4-3-5-7-15)19-12-14-8-10-16(20-2)11-9-14/h3-13,17H,1-2H3/b19-12+/t13-,17+/m0/s1 |
| InChIKey |
XQJJPPXJLPOQMB-MKOFKROOSA-N |
| SMILES |
C1(\C=N\[C@]([C@](C2=CC=CC=C2)(Cl)[H])(C)[H])=CC=C(C=C1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.956695 |
