SpectraBase Spectrum ID |
4DyUMWNsclA |
Name |
[4-(2,3-Dimethoxybenzyl)piperazin-1-yl]- (2-methoxyphenyl)methanone |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
370.189257321 u |
Formula |
C21H26N2O4 |
InChI |
InChI=1S/C21H26N2O4/c1-25-18-9-5-4-8-17(18)21(24)23-13-11-22(12-14-23)15-16-7-6-10-19(26-2)20(16)27-3/h4-10H,11-15H2,1-3H3 |
InChIKey |
NFQBGDPYMVPRDF-UHFFFAOYSA-N |
Molecular Weight |
370.449 g/mol |
SMILES |
C1(=C(C(=CC=C1)OC)OC)CN1CCN(CC1)C(C1=C(C=CC=C1)OC)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.921974 |