| SpectraBase Compound ID | 5cef9baIa3D |
|---|---|
| InChI | InChI=1S/C10H11NOS2/c1-7(12)6-13-10-11-8-4-2-3-5-9(8)14-10/h2-5,7,12H,6H2,1H3 |
| InChIKey | NPVCYDIKUKFSOH-UHFFFAOYSA-N |
| Mol Weight | 225.32 g/mol |
| Molecular Formula | C10H11NOS2 |
| Exact Mass | 225.028206 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LZqEbLbGe48 |
|---|---|
| Name | 1-(1,3-Benzothiazol-2-ylsulfanyl)propan-2-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 225.028206325 u |
| Formula | C10H11NOS2 |
| InChI | InChI=1S/C10H11NOS2/c1-7(12)6-13-10-11-8-4-2-3-5-9(8)14-10/h2-5,7,12H,6H2,1H3 |
| InChIKey | NPVCYDIKUKFSOH-UHFFFAOYSA-N |
| Molecular Weight | 225.324 g/mol |
| SMILES | C1(=NC2=CC=CC=C2S1)SCC(O)C |