SpectraBase Spectrum ID |
1Um96xsWFFX |
Name |
Benzaldehyde, 3-[4-(2-hydroxyethyl)-1-piperazinylmethyl]-4-methoxy- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
278.163042573 u |
Formula |
C15H22N2O3 |
InChI |
InChI=1S/C15H22N2O3/c1-20-15-3-2-13(12-19)10-14(15)11-17-6-4-16(5-7-17)8-9-18/h2-3,10,12,18H,4-9,11H2,1H3 |
InChIKey |
SZLQZAJZSGVNQB-UHFFFAOYSA-N |
SMILES |
C(N1CCN(CCO)CC1)C1=CC(C=O)=CC=C1OC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.835667 |