| SpectraBase Spectrum ID |
BF49tl3iJVS |
| Name |
2-(2,4-Dinitrophenyl)sulfanyl-6-methyl-1H-pyrimidin-4-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
308.021540543 u |
| Formula |
C11H8N4O5S |
| InChI |
InChI=1S/C11H8N4O5S/c1-6-4-10(16)13-11(12-6)21-9-3-2-7(14(17)18)5-8(9)15(19)20/h2-5H,1H3,(H,12,13,16) |
| InChIKey |
MQRSKNRMJCUQTI-UHFFFAOYSA-N |
| Molecular Weight |
308.268 g/mol |
| SMILES |
C1(=NC(C=C(N1)C)=O)SC=1C(=CC(=CC1)N(=O)=O)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.914877 |
