SpectraBase Spectrum ID |
9aOufeAQPN3 |
Name |
1-(2-Hydroxy-3-methoxy-3-phenylpropyl)piperazine |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
250.168127954 u |
Formula |
C14H22N2O2 |
InChI |
InChI=1S/C14H22N2O2/c1-18-14(12-5-3-2-4-6-12)13(17)11-16-9-7-15-8-10-16/h2-6,13-15,17H,7-11H2,1H3 |
InChIKey |
RSLMVUMNCIXMGI-UHFFFAOYSA-N |
Molecular Weight |
250.342 g/mol |
SMILES |
C1CN(CC(C(OC)C=2C=CC=CC2)O)CCN1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.942381 |