SpectraBase Spectrum ID |
CCF0L2Idwj2 |
Name |
2,5-Piperazinedione, 3,6-dimethoxy-1,4-bis(phenylmethyl)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
354.157957192 u |
Formula |
C20H22N2O4 |
InChI |
InChI=1S/C20H22N2O4/c1-25-19-17(23)22(14-16-11-7-4-8-12-16)20(26-2)18(24)21(19)13-15-9-5-3-6-10-15/h3-12,19-20H,13-14H2,1-2H3 |
InChIKey |
VTZXWMFVBXSSSE-UHFFFAOYSA-N |
Molecular Weight |
354.406 g/mol |
SMILES |
C1(N(C(C(N(C1OC)CC=1C=CC=CC1)=O)OC)CC=1C=CC=CC1)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.968399 |