SpectraBase Spectrum ID |
LbV5y43A2gK |
Name |
1-(5-Methoxy-2-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/c1-11-3-4-13(16-2)9-12(11)10-15-7-5-14-6-8-15/h3-4,9,14H,5-8,10H2,1-2H3 |
InChIKey |
UTPUOLALNQIPRE-UHFFFAOYSA-N |
Molecular Weight |
220.316 g/mol |
SMILES |
C1=CC(=CC(=C1C)CN1CCNCC1)OC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.914934 |