| SpectraBase Compound ID | BAbyQPLNiL4 |
|---|---|
| InChI | InChI=1S/C12H8N2O4S/c15-13(16)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(17)18/h1-8H |
| InChIKey | ZZTJMQPRKBNGNX-UHFFFAOYSA-N |
| Mol Weight | 276.27 g/mol |
| Molecular Formula | C12H8N2O4S |
| Exact Mass | 276.020478 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | KnNx4mLx1Pc |
|---|---|
| Name | bis(p-Nitrophenyl) sulfide |
| 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)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(17)18/h1-8H |
| InChIKey | ZZTJMQPRKBNGNX-UHFFFAOYSA-N |
| Molecular Weight | 276.266 g/mol |
| SMILES | N(=O)(=O)C=1C=CC(SC2=CC=C(C=C2)N(=O)=O)=CC1 |
| Spectrum/Structure Validation Score (Raman) | 0.983632 |