| SpectraBase Spectrum ID |
8oO8FSZD66q |
| Name |
1-(4-Bromo-3,5-dimethoxybenzyl)piperazine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
314.062990858 u |
| Formula |
C13H19BrN2O2 |
| InChI |
InChI=1S/C13H19BrN2O2/c1-17-11-7-10(8-12(18-2)13(11)14)9-16-5-3-15-4-6-16/h7-8,15H,3-6,9H2,1-2H3 |
| InChIKey |
PLLMHXWJABZJGB-UHFFFAOYSA-N |
| Molecular Weight |
315.211 g/mol |
| SMILES |
C(N1CCNCC1)C1=CC(=C(C(=C1)OC)Br)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.837048 |
