| SpectraBase Spectrum ID |
2XiZfBy3AMP |
| Name |
1-(3-Methoxy-4-methylbenzyl)piperazine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
220.157563271 u |
| Formula |
C13H20N2O |
| InChI |
InChI=1S/C13H20N2O/c1-11-3-4-12(9-13(11)16-2)10-15-7-5-14-6-8-15/h3-4,9,14H,5-8,10H2,1-2H3 |
| InChIKey |
JHDAKBZWWNLGCY-UHFFFAOYSA-N |
| Molecular Weight |
220.316 g/mol |
| SMILES |
C1(=C(C=CC(=C1)CN1CCNCC1)C)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.88908 |
