| SpectraBase Spectrum ID |
9znD14X3Ib7 |
| Name |
(5Z)-5-[2-[2-(3-Ethyl-5-methyl-phenoxy)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 |
484.199822005 u |
| Formula |
C29H28N2O5 |
| InChI |
InChI=1S/C29H28N2O5/c1-4-21-14-20(3)16-24(17-21)35-12-13-36-26-11-6-5-9-22(26)18-25-27(32)30-29(34)31(28(25)33)23-10-7-8-19(2)15-23/h5-11,14-18H,4,12-13H2,1-3H3,(H,30,32,34)/b25-18- |
| InChIKey |
FQWUBEJGCBPIAQ-BWAHOGKJSA-N |
| Molecular Weight |
484.552 g/mol |
| SMILES |
C1=CC=C(\C=C/2C(N(C(NC2=O)=O)C=2C=C(C)C=CC2)=O)C(OCCOC2=CC(C)=CC(=C2)CC)=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.83585 |
![(5Z)-5-[2-[2-(3-ethyl-5-methyl-phenoxy)ethoxy]benzylidene]-1-(m-tolyl)barbituric acid](/api/spectrum/9znD14X3Ib7/structure.png?h=300&w=458 "(5Z)-5-[2-[2-(3-ethyl-5-methyl-phenoxy)ethoxy]benzylidene]-1-(m-tolyl)barbituric acid")
