| SpectraBase Spectrum ID |
JDRfL4moMpJ |
| Name |
1-(4-Chlorobenzyl)-4-(4-nitrophenyl)piperazine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
331.108754530 u |
| Formula |
C17H18ClN3O2 |
| InChI |
InChI=1S/C17H18ClN3O2/c18-15-3-1-14(2-4-15)13-19-9-11-20(12-10-19)16-5-7-17(8-6-16)21(22)23/h1-8H,9-13H2 |
| InChIKey |
ADICUDOVEDGWDO-UHFFFAOYSA-N |
| Molecular Weight |
331.803 g/mol |
| SMILES |
C=1(N2CCN(CC=3C=CC(=CC3)Cl)CC2)C=CC(=CC1)[N+](=O)[O-] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.852794 |
