| SpectraBase Spectrum ID |
8XDTx45BUov |
| Name |
(6Z)-1-Benzyl-3-[(4-methoxy-3-methylphenyl)methyl]-6-[(6-phenylmethoxy-1,3-benzodioxol-5-yl)methylidene]piperazine-2,5-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
576.226036752 u |
| Formula |
C35H32N2O6 |
| InChI |
InChI=1S/C35H32N2O6/c1-23-15-26(13-14-30(23)40-2)16-28-35(39)37(20-24-9-5-3-6-10-24)29(34(38)36-28)17-27-18-32-33(43-22-42-32)19-31(27)41-21-25-11-7-4-8-12-25/h3-15,17-19,28H,16,20-22H2,1-2H3,(H,36,38)/b29-17- |
| InChIKey |
KPAZRPZDHIJRAW-RHANQZHGSA-N |
| Molecular Weight |
576.649 g/mol |
| SMILES |
C1(\C(N(C(C(N1)CC=1C=C(C)C(=CC1)OC)=O)CC=1C=CC=CC1)=C\C=1C(=CC2=C(C1)OCO2)OCC=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.812064 |
![(6Z)-1-benzyl-3-[(4-methoxy-3-methylphenyl)methyl]-6-[(6-phenylmethoxy-1,3-benzodioxol-5-yl)methylidene]piperazine-2,5-dione](/api/spectrum/8XDTx45BUov/structure.png?h=300&w=458 "(6Z)-1-benzyl-3-[(4-methoxy-3-methylphenyl)methyl]-6-[(6-phenylmethoxy-1,3-benzodioxol-5-yl)methylidene]piperazine-2,5-dione")
