| SpectraBase Compound ID | 1TA61Mlrc0l |
|---|---|
| InChI | InChI=1S/C13H13NOS2/c15-10-6-2-4-8-12(10)17-13-14-9-5-1-3-7-11(9)16-13/h1,3,5,7,12H,2,4,6,8H2 |
| InChIKey | NSARJIPVVYSBSL-UHFFFAOYSA-N |
| Mol Weight | 263.37 g/mol |
| Molecular Formula | C13H13NOS2 |
| Exact Mass | 263.043856 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7SG2eePAip |
|---|---|
| Name | 2-(Benzothiazol-2-ylsulfanyl)-cyclohexanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 263.043856390 u |
| Formula | C13H13NOS2 |
| InChI | InChI=1S/C13H13NOS2/c15-10-6-2-4-8-12(10)17-13-14-9-5-1-3-7-11(9)16-13/h1,3,5,7,12H,2,4,6,8H2 |
| InChIKey | NSARJIPVVYSBSL-UHFFFAOYSA-N |
| SMILES | C1=2SC(=NC2C=CC=C1)SC1CCCCC1=O |