| SpectraBase Spectrum ID |
AARGVVWax9Y |
| Name |
2-(4-Chlorophenyl)-N-[1-[2-(4-chlorophenyl)-ethyl]-4-phenylpiperidin-4-yl-methyl]-ethanamine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
466.194254438 u |
| Formula |
C28H32Cl2N2 |
| InChI |
InChI=1S/C28H32Cl2N2/c29-26-10-6-23(7-11-26)14-18-31-22-28(25-4-2-1-3-5-25)16-20-32(21-17-28)19-15-24-8-12-27(30)13-9-24/h1-13,31H,14-22H2 |
| InChIKey |
WWANJGIQOVBDID-UHFFFAOYSA-N |
| Molecular Weight |
467.484 g/mol |
| SMILES |
C(CC=1C=CC(=CC1)Cl)NCC1(CCN(CC1)CCC=1C=CC(=CC1)Cl)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.858407 |