| SpectraBase Compound ID | G80buwCdlCh |
|---|---|
| InChI | InChI=1S/C10H11NS3/c1-2-7-12-14-10-11-8-5-3-4-6-9(8)13-10/h3-6H,2,7H2,1H3 |
| InChIKey | BTHJYDJZMRDGNV-UHFFFAOYSA-N |
| Mol Weight | 241.38 g/mol |
| Molecular Formula | C10H11NS3 |
| Exact Mass | 241.005363 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Gw3v6HYRZZH |
|---|---|
| Name | Benzothiazole, 2-propyldithio- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 241.005362880 u |
| Formula | C10H11NS3 |
| InChI | InChI=1S/C10H11NS3/c1-2-7-12-14-10-11-8-5-3-4-6-9(8)13-10/h3-6H,2,7H2,1H3 |
| InChIKey | BTHJYDJZMRDGNV-UHFFFAOYSA-N |
| Molecular Weight | 241.385 g/mol |
| SMILES | C1=CC=CC2=C1SC(=N2)SSCCC |