| SpectraBase Spectrum ID |
AWoDCstcuwS |
| Name |
(5E)-5-[2-(2-Bromoethoxy)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 |
444.032084650 u |
| Formula |
C20H17BrN2O5 |
| InChI |
InChI=1S/C20H17BrN2O5/c1-27-15-8-6-14(7-9-15)23-19(25)16(18(24)22-20(23)26)12-13-4-2-3-5-17(13)28-11-10-21/h2-9,12H,10-11H2,1H3,(H,22,24,26)/b16-12+ |
| InChIKey |
MGINZJJKKWEQLK-FOWTUZBSSA-N |
| Molecular Weight |
445.269 g/mol |
| SMILES |
C1=CC=C(\C=C\2C(N(C(NC2=O)=O)C2=CC=C(C=C2)OC)=O)C(OCCBr)=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.839876 |
![(5E)-5-[2-(2-bromoethoxy)benzylidene]-1-(4-methoxyphenyl)barbituric acid](/api/spectrum/AWoDCstcuwS/structure.png?h=300&w=458 "(5E)-5-[2-(2-bromoethoxy)benzylidene]-1-(4-methoxyphenyl)barbituric acid")
