| SpectraBase Spectrum ID |
JjZVtAj41A4 |
| Name |
(5Z)-5-[4-[2-(2-Allylphenoxy)ethoxy]-3-bromo-5-methoxy-benzylidene]-1-(4-methoxyphenyl)barbituric acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
606.100164210 u |
| Formula |
C30H27BrN2O7 |
| InChI |
InChI=1S/C30H27BrN2O7/c1-4-7-20-8-5-6-9-25(20)39-14-15-40-27-24(31)17-19(18-26(27)38-3)16-23-28(34)32-30(36)33(29(23)35)21-10-12-22(37-2)13-11-21/h4-6,8-13,16-18H,1,7,14-15H2,2-3H3,(H,32,34,36)/b23-16- |
| InChIKey |
HLIFJTJBTGVJDA-KQWNVCNZSA-N |
| Molecular Weight |
607.457 g/mol |
| SMILES |
C1=CC=C(C(OCCOC=2C(=CC(\C=C/3C(N(C(NC3=O)=O)C3=CC=C(C=C3)OC)=O)=CC2Br)OC)=C1)CC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.912801 |
![(5Z)-5-[4-[2-(2-allylphenoxy)ethoxy]-3-bromo-5-methoxy-benzylidene]-1-(4-methoxyphenyl)barbituric acid](/api/spectrum/JjZVtAj41A4/structure.png?h=300&w=458 "(5Z)-5-[4-[2-(2-allylphenoxy)ethoxy]-3-bromo-5-methoxy-benzylidene]-1-(4-methoxyphenyl)barbituric acid")
