| SpectraBase Spectrum ID |
BhETQUIrHCF |
| Name |
(5Z)-1-(3-Methylphenyl)-5-[[2-[2-(4-nitrophenoxy)ethoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
487.137950021 u |
| Formula |
C26H21N3O7 |
| InChI |
InChI=1S/C26H21N3O7/c1-17-5-4-7-20(15-17)28-25(31)22(24(30)27-26(28)32)16-18-6-2-3-8-23(18)36-14-13-35-21-11-9-19(10-12-21)29(33)34/h2-12,15-16H,13-14H2,1H3,(H,27,30,32)/b22-16- |
| InChIKey |
QJPWTVWQSCXUCI-JWGURIENSA-N |
| Molecular Weight |
487.468 g/mol |
| SMILES |
C=1C=CC(\C=C/2C(N(C(NC2=O)=O)C2=CC(C)=CC=C2)=O)=C(OCCOC2=CC=C(N(=O)=O)C=C2)C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.906515 |
![(5Z)-1-(3-methylphenyl)-5-[[2-[2-(4-nitrophenoxy)ethoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione](/api/spectrum/BhETQUIrHCF/structure.png?h=300&w=458 "(5Z)-1-(3-methylphenyl)-5-[[2-[2-(4-nitrophenoxy)ethoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione")
