| SpectraBase Compound ID | 6vRkrEL54G2 |
|---|---|
| InChI | InChI=1S/C13H8N2O2S2/c16-15(17)11-3-7-13(8-4-11)19-12-5-1-10(2-6-12)14-9-18/h1-8H |
| InChIKey | XQXCSNLNVVAJRO-UHFFFAOYSA-N |
| Mol Weight | 288.34 g/mol |
| Molecular Formula | C13H8N2O2S2 |
| Exact Mass | 288.00272 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LmPAJ6jpXzI |
|---|---|
| Name | 4-Isothiocyanato-4'-nitrophenyl sulfide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 288.002719852 u |
| Formula | C13H8N2O2S2 |
| InChI | InChI=1S/C13H8N2O2S2/c16-15(17)11-3-7-13(8-4-11)19-12-5-1-10(2-6-12)14-9-18/h1-8H |
| InChIKey | XQXCSNLNVVAJRO-UHFFFAOYSA-N |
| Molecular Weight | 288.339 g/mol |
| SMILES | C1=CC(=CC=C1N(=O)=O)SC1=CC=C(N=C=S)C=C1 |