| SpectraBase Spectrum ID |
92946PRmHQI |
| Name |
3,3'-Dinitro-4-methyl-4'-chlorodiphenylsulfone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
355.986984886 u |
| Formula |
C13H9ClN2O6S |
| InChI |
InChI=1S/C13H9ClN2O6S/c1-8-2-3-9(6-12(8)15(17)18)23(21,22)10-4-5-11(14)13(7-10)16(19)20/h2-7H,1H3 |
| InChIKey |
HQWOSXPFZNOPOG-UHFFFAOYSA-N |
| Molecular Weight |
356.736 g/mol |
| SMILES |
C1(=C(C=C(C=C1)S(=O)(C1=CC=C(Cl)C(=C1)N(=O)=O)=O)N(=O)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.944367 |
