| SpectraBase Spectrum ID |
JaGFgnHnXzP |
| Name |
5-(3,5-Dinitro-4-hydroxybenzylidene)barbituric acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
322.018563161 u |
| Formula |
C11H6N4O8 |
| InChI |
InChI=1S/C11H6N4O8/c16-8-6(14(20)21)2-4(3-7(8)15(22)23)1-5-9(17)12-11(19)13-10(5)18/h1-3,16H,(H2,12,13,17,18,19) |
| InChIKey |
XUFUGEPBEQNGFB-UHFFFAOYSA-N |
| SMILES |
OC=1C(=CC(=CC1N(=O)=O)C=C1C(=O)NC(NC1=O)=O)N(=O)=O |
| Spectrum/Structure Validation Score (Raman) |
0.989786 |
