![Benzothiazole, 2-[4-methylphenyldithio]-](/api/spectrum/7Sm6FVAoPf6/structure.png?h=300&w=458 "Benzothiazole, 2-[4-methylphenyldithio]-")
| SpectraBase Compound ID | 8ZAeTY2usqm |
|---|---|
| InChI | InChI=1S/C14H11NS3/c1-10-6-8-11(9-7-10)17-18-14-15-12-4-2-3-5-13(12)16-14/h2-9H,1H3 |
| InChIKey | PMGPOQSTMWOXMQ-UHFFFAOYSA-N |
| Mol Weight | 289.43 g/mol |
| Molecular Formula | C14H11NS3 |
| Exact Mass | 289.005363 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7Sm6FVAoPf6 |
|---|---|
| Name | Benzothiazole, 2-[4-methylphenyldithio]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 289.005362880 u |
| Formula | C14H11NS3 |
| InChI | InChI=1S/C14H11NS3/c1-10-6-8-11(9-7-10)17-18-14-15-12-4-2-3-5-13(12)16-14/h2-9H,1H3 |
| InChIKey | PMGPOQSTMWOXMQ-UHFFFAOYSA-N |
| Molecular Weight | 289.429 g/mol |
| SMILES | C1=CC=CC2=C1SC(=N2)SSC1=CC=C(C=C1)C |