| SpectraBase Spectrum ID |
FgTSNCgDTKn |
| Name |
bis-(3-Nitrophenyl)sulfone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
308.010307154 u |
| Formula |
C12H8N2O6S |
| InChI |
InChI=1S/C12H8N2O6S/c15-13(16)9-3-1-5-11(7-9)21(19,20)12-6-2-4-10(8-12)14(17)18/h1-8H |
| InChIKey |
AKAXCFAQCKRJOT-UHFFFAOYSA-N |
| Molecular Weight |
308.264 g/mol |
| SMILES |
C1(=CC(=CC=C1)N(=O)=O)S(C=1C=C(C=CC1)N(=O)=O)(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.944903 |
