| SpectraBase Spectrum ID |
841KrqWrp7j |
| Name |
N-4-Chlorophenyl-1-(2-phenylethyl)-N-3-(trifluoromethyl)benzyl-piperidin-4-amine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
472.189311099 u |
| Formula |
C27H28ClF3N2 |
| InChI |
InChI=1S/C27H28ClF3N2/c28-24-9-11-25(12-10-24)33(20-22-7-4-8-23(19-22)27(29,30)31)26-14-17-32(18-15-26)16-13-21-5-2-1-3-6-21/h1-12,19,26H,13-18,20H2 |
| InChIKey |
WQUCCLAMJMYRBW-UHFFFAOYSA-N |
| Molecular Weight |
472.983 g/mol |
| SMILES |
C1(N(C2=CC=C(C=C2)Cl)CC=2C=C(C(F)(F)F)C=CC2)CCN(CC1)CCC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.895843 |
