| SpectraBase Spectrum ID |
Ij2JPDo9ueR |
| Name |
4-(2,3-Dinitro-4,5,6-trichlorophenyl)thiomorpholine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
370.930110020 u |
| Formula |
C10H8Cl3N3O4S |
| InChI |
InChI=1S/C10H8Cl3N3O4S/c11-5-6(12)8(14-1-3-21-4-2-14)10(16(19)20)9(7(5)13)15(17)18/h1-4H2 |
| InChIKey |
RYHMFJIQLONVGT-UHFFFAOYSA-N |
| Molecular Weight |
372.610 g/mol |
| SMILES |
N(=O)(=O)C=1C(=C(C(=C(C1N1CCSCC1)Cl)Cl)Cl)N(=O)=O |
| Spectrum/Structure Validation Score (Raman) |
0.943146 |
