| SpectraBase Compound ID | JJ1qVaxITkp |
|---|---|
| InChI | InChI=1S/C8H6N2O2S2/c1-13-8-9-6-3-2-5(10(11)12)4-7(6)14-8/h2-4H,1H3 |
| InChIKey | UGURRSVQWLYDOY-UHFFFAOYSA-N |
| Mol Weight | 226.27 g/mol |
| Molecular Formula | C8H6N2O2S2 |
| Exact Mass | 225.98707 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | oifPQIFR4c |
|---|---|
| Name | 2-(Methylthio)-6-nitrobenzothiazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 225.987069787 u |
| Formula | C8H6N2O2S2 |
| InChI | InChI=1S/C8H6N2O2S2/c1-13-8-9-6-3-2-5(10(11)12)4-7(6)14-8/h2-4H,1H3 |
| InChIKey | UGURRSVQWLYDOY-UHFFFAOYSA-N |
| Molecular Weight | 226.268 g/mol |
| SMILES | C1=2SC(=NC2C=CC(=C1)N(=O)=O)SC |