| SpectraBase Spectrum ID |
GjFOX6IwNF0 |
| Name |
(R,S)-N-(2-Benzoyl-4-chlorophenyl)-2-(4-methyl-piperazinyl)-2-phenylacetamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
447.171354787 u |
| Formula |
C26H26ClN3O2 |
| InChI |
InChI=1S/C26H26ClN3O2/c1-29-14-16-30(17-15-29)24(19-8-4-2-5-9-19)26(32)28-23-13-12-21(27)18-22(23)25(31)20-10-6-3-7-11-20/h2-13,18,24H,14-17H2,1H3,(H,28,32)/t24-/m1/s1 |
| InChIKey |
UOKNIZKXADWQLG-XMMPIXPASA-N |
| Molecular Weight |
447.966 g/mol |
| SMILES |
C(NC=1C(C(=O)C2=CC=CC=C2)=CC(=CC1)Cl)([C@](N1CCN(CC1)C)(C1=CC=CC=C1)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.877806 |
