![4-[(2,4-Dinitrophenyl)thio]pyrimidine](/api/spectrum/m0q7PIjfr5/structure.png?h=300&w=458 "4-[(2,4-Dinitrophenyl)thio]pyrimidine")
| SpectraBase Compound ID | Dk2I3hV0mG3 |
|---|---|
| InChI | InChI=1S/C10H6N4O4S/c15-13(16)7-1-2-9(8(5-7)14(17)18)19-10-3-4-11-6-12-10/h1-6H |
| InChIKey | SLHSCOLZKJZFFU-UHFFFAOYSA-N |
| Mol Weight | 278.24 g/mol |
| Molecular Formula | C10H6N4O4S |
| Exact Mass | 278.010976 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | m0q7PIjfr5 |
|---|---|
| Name | 4-[(2,4-Dinitrophenyl)thio]pyrimidine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 278.010975859 u |
| Formula | C10H6N4O4S |
| InChI | InChI=1S/C10H6N4O4S/c15-13(16)7-1-2-9(8(5-7)14(17)18)19-10-3-4-11-6-12-10/h1-6H |
| InChIKey | SLHSCOLZKJZFFU-UHFFFAOYSA-N |
| Molecular Weight | 278.242 g/mol |
| SMILES | N(=O)(=O)C=1C=C(C=CC1SC=1C=CN=CN1)N(=O)=O |