| SpectraBase Spectrum ID |
I5wyM1P6V0C |
| Name |
Benzene, 1,1'-thiobis[2,4-dinitro- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
365.990634335 u |
| Formula |
C12H6N4O8S |
| InChI |
InChI=1S/C12H6N4O8S/c17-13(18)7-1-2-12(11(6-7)16(23)24)25-10-4-8(14(19)20)3-9(5-10)15(21)22/h1-6H |
| InChIKey |
AUAIUDMUGAYEKG-UHFFFAOYSA-N |
| Molecular Weight |
366.260 g/mol |
| SMILES |
C1(=C(C=C(C=C1)N(=O)=O)N(=O)=O)SC1=CC(=CC(=C1)N(=O)=O)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.969119 |
