SpectraBase Spectrum ID |
HbBmze21pUJ |
Name |
1-(2-Methoxy-3-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/c1-11-4-3-5-12(13(11)16-2)10-15-8-6-14-7-9-15/h3-5,14H,6-10H2,1-2H3 |
InChIKey |
UZCFTMQFDWVQIV-UHFFFAOYSA-N |
Molecular Weight |
220.316 g/mol |
SMILES |
C1(=CC=CC(=C1OC)CN1CCNCC1)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.896462 |