| SpectraBase Compound ID | 4fhNuJf4wR |
|---|---|
| InChI | InChI=1S/C12H8N2O4S/c15-13(16)9-5-7-10(8-6-9)19-12-4-2-1-3-11(12)14(17)18/h1-8H |
| InChIKey | BPIAYTPOKPGFAP-UHFFFAOYSA-N |
| Mol Weight | 276.27 g/mol |
| Molecular Formula | C12H8N2O4S |
| Exact Mass | 276.020478 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Cj1od5JlyVo |
|---|---|
| Name | (2-Nitrophenyl)(4-nitrophenyl)sulfide |
| Comments | Computed using HOSE algorithm |
| 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)9-5-7-10(8-6-9)19-12-4-2-1-3-11(12)14(17)18/h1-8H |
| InChIKey | BPIAYTPOKPGFAP-UHFFFAOYSA-N |
| SMILES | C=1(N(=O)=O)C(SC=2C=CC(N(=O)=O)=CC2)=CC=CC1 |