| SpectraBase Spectrum ID |
1U8ni4WfqLh |
| Name |
(5Z)-5-[3-Ethoxy-4-(2-phenoxyethoxy)benzylidene]-1-(p-tolyl)barbituric acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
486.179086559 u |
| Formula |
C28H26N2O6 |
| InChI |
InChI=1S/C28H26N2O6/c1-3-34-25-18-20(11-14-24(25)36-16-15-35-22-7-5-4-6-8-22)17-23-26(31)29-28(33)30(27(23)32)21-12-9-19(2)10-13-21/h4-14,17-18H,3,15-16H2,1-2H3,(H,29,31,33)/b23-17- |
| InChIKey |
JSQSZMRSIJZOIR-QJOMJCCJSA-N |
| Molecular Weight |
486.524 g/mol |
| SMILES |
C1=CC=C(OCCOC2=CC=C(\C=C/3C(N(C(NC3=O)=O)C3=CC=C(C=C3)C)=O)C=C2OCC)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.915363 |
![(5Z)-5-[3-ethoxy-4-(2-phenoxyethoxy)benzylidene]-1-(p-tolyl)barbituric acid](/api/spectrum/1U8ni4WfqLh/structure.png?h=300&w=458 "(5Z)-5-[3-ethoxy-4-(2-phenoxyethoxy)benzylidene]-1-(p-tolyl)barbituric acid")
