| SpectraBase Compound ID | J4fi8PLkzMm |
|---|---|
| InChI | InChI=1S/C12H8N2O4S/c15-13(16)9-5-1-3-7-11(9)19-12-8-4-2-6-10(12)14(17)18/h1-8H |
| InChIKey | MXWVNAOIXKIIJK-UHFFFAOYSA-N |
| Mol Weight | 276.27 g/mol |
| Molecular Formula | C12H8N2O4S |
| Exact Mass | 276.020478 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CjezVJvjQTl |
|---|---|
| Name | 2,2'-Dinitrodiphenylsulfide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 276.020477916 u |
| Formula | C12H8N2O4S |
| InChI | InChI=1S/C12H8N2O4S/c15-13(16)9-5-1-3-7-11(9)19-12-8-4-2-6-10(12)14(17)18/h1-8H |
| InChIKey | MXWVNAOIXKIIJK-UHFFFAOYSA-N |
| SMILES | C1=CC=CC(=C1SC1=C(C=CC=C1)N(=O)=O)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.949566 |