SpectraBase Spectrum ID |
ANku6wIeViI |
Name |
(2,5-Dimethoxyphenyl)(piperazin-1-yl)methanone |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
250.131742445 u |
Formula |
C13H18N2O3 |
InChI |
InChI=1S/C13H18N2O3/c1-17-10-3-4-12(18-2)11(9-10)13(16)15-7-5-14-6-8-15/h3-4,9,14H,5-8H2,1-2H3 |
InChIKey |
WJANLCJHANEGHQ-UHFFFAOYSA-N |
Molecular Weight |
250.298 g/mol |
SMILES |
C1=CC(=CC(=C1OC)C(=O)N1CCNCC1)OC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.905786 |