| SpectraBase Spectrum ID |
9KVo3fENqoe |
| Name |
3,3',4,4'-Tetranitrodiphenylsulfoxide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
381.985548954 u |
| Formula |
C12H6N4O9S |
| InChI |
InChI=1S/C12H6N4O9S/c17-13(18)9-3-1-7(5-11(9)15(21)22)26(25)8-2-4-10(14(19)20)12(6-8)16(23)24/h1-6H |
| InChIKey |
SJNYSYXLFUYWRS-UHFFFAOYSA-N |
| Molecular Weight |
382.259 g/mol |
| SMILES |
C1(S(=O)C2=CC=C(N(=O)=O)C(=C2)N(=O)=O)=CC(=C(N(=O)=O)C=C1)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.969398 |
