| SpectraBase Spectrum ID |
JbnUOD6naK1 |
| Name |
4-Amino-2'-chloro-4'-nitrodiphenyl sulfone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
311.997155648 u |
| Formula |
C12H9ClN2O4S |
| InChI |
InChI=1S/C12H9ClN2O4S/c13-11-7-9(15(16)17)3-6-12(11)20(18,19)10-4-1-8(14)2-5-10/h1-7H,14H2 |
| InChIKey |
RNRVEQOHJKNKJS-UHFFFAOYSA-N |
| Molecular Weight |
312.727 g/mol |
| SMILES |
C1(N(=O)=O)=CC(Cl)=C(C=C1)S(C1=CC=C(N)C=C1)(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.936458 |
