| SpectraBase Compound ID | BxAdSTDStMt |
|---|---|
| InChI | InChI=1S/C14H18N2O2S3/c1-19-14-15-12-8-7-11(9-13(12)20-14)21(17,18)16-10-5-3-2-4-6-10/h7-10,16H,2-6H2,1H3 |
| InChIKey | OQZHWXPRMUYGEB-UHFFFAOYSA-N |
| Mol Weight | 342.49 g/mol |
| Molecular Formula | C14H18N2O2S3 |
| Exact Mass | 342.053041 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | OIBxagqq8n |
|---|---|
| Name | 2-Methylsulfanyl-benzothiazole-6-sulfonic acid cyclohexylamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 342.053041348 u |
| Formula | C14H18N2O2S3 |
| InChI | InChI=1S/C14H18N2O2S3/c1-19-14-15-12-8-7-11(9-13(12)20-14)21(17,18)16-10-5-3-2-4-6-10/h7-10,16H,2-6H2,1H3 |
| InChIKey | OQZHWXPRMUYGEB-UHFFFAOYSA-N |
| Molecular Weight | 342.490 g/mol |
| SMILES | C1CCC(CC1)NS(C=1C=C2SC(SC)=NC2=CC1)(=O)=O |