| SpectraBase Spectrum ID |
LJky3dpUqjM |
| Name |
1-(4-Chlorophenylthio)-2,4-dinitrobenzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
309.981505583 u |
| Formula |
C12H7ClN2O4S |
| InChI |
InChI=1S/C12H7ClN2O4S/c13-8-1-4-10(5-2-8)20-12-6-3-9(14(16)17)7-11(12)15(18)19/h1-7H |
| InChIKey |
JJOKSIVIQACHPZ-UHFFFAOYSA-N |
| Molecular Weight |
310.711 g/mol |
| SMILES |
C1(N(=O)=O)=CC(N(=O)=O)=CC=C1SC1=CC=C(C=C1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.959285 |
