| SpectraBase Spectrum ID |
35bk3CjmgnL |
| Name |
2,4(1H,3H)-Pyrimidinedione, 6-chloro-5-nitro-; 6-chloro-5-nitrouracil; uracil, 6-chloro-5-nitro- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
190.973383252 u |
| Formula |
C4H2ClN3O4 |
| InChI |
InChI=1S/C4H2ClN3O4/c5-2-1(8(11)12)3(9)7-4(10)6-2/h(H2,6,7,9,10) |
| InChIKey |
GPFMSTOIHBOPQA-UHFFFAOYSA-N |
| Molecular Weight |
191.530 g/mol |
| SMILES |
N1C(NC(C(=C1Cl)[N+]([O-])=O)=O)=O |
| Spectrum/Structure Validation Score (Raman) |
0.938204 |
