| SpectraBase Spectrum ID |
INqTveOw2mx |
| Name |
(5Z)-5-[3-Ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzylidene]-1-(m-tolyl)barbituric acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
516.189651243 u |
| Formula |
C29H28N2O7 |
| InChI |
InChI=1S/C29H28N2O7/c1-4-36-26-18-20(12-13-25(26)38-15-14-37-24-11-6-5-10-23(24)35-3)17-22-27(32)30-29(34)31(28(22)33)21-9-7-8-19(2)16-21/h5-13,16-18H,4,14-15H2,1-3H3,(H,30,32,34)/b22-17- |
| InChIKey |
FPBLHGYFYSBOJK-XLNRJJMWSA-N |
| Molecular Weight |
516.550 g/mol |
| SMILES |
C1=CC=C(C(OC)=C1)OCCOC1=CC=C(\C=C/2C(N(C(NC2=O)=O)C=2C=C(C)C=CC2)=O)C=C1OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.814433 |
![(5Z)-5-[3-ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzylidene]-1-(m-tolyl)barbituric acid](/api/spectrum/INqTveOw2mx/structure.png?h=300&w=458 "(5Z)-5-[3-ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzylidene]-1-(m-tolyl)barbituric acid")
