| SpectraBase Spectrum ID |
Jz8SiewjVOZ |
| Name |
3,4-Dinitro-4-aminodiphenylsulfone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
323.021206190 u |
| Formula |
C12H9N3O6S |
| InChI |
InChI=1S/C12H9N3O6S/c13-11-6-5-10(7-12(11)15(18)19)22(20,21)9-3-1-8(2-4-9)14(16)17/h1-7H,13H2 |
| InChIKey |
QCJYVHOWYPTHIZ-UHFFFAOYSA-N |
| Molecular Weight |
323.279 g/mol |
| SMILES |
C1(S(=O)(=O)C2=CC=C(N(=O)=O)C=C2)=CC(=C(N)C=C1)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.950164 |
