| SpectraBase Compound ID | EDOApnStQk2 |
|---|---|
| InChI | InChI=1S/C7H14O4S2/c1-13(10,11)12-6-4-2-3-5-7(8)9/h2-6H2,1H3,(H,8,9) |
| InChIKey | FELVFSYUZJCULW-UHFFFAOYSA-N |
| Mol Weight | 226.3 g/mol |
| Molecular Formula | C7H14O4S2 |
| Exact Mass | 226.033351 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 6eJgyfWKDWH |
|---|---|
| Name | 6-(Mesylthio)hexanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.033351275 u |
| Formula | C7H14O4S2 |
| InChI | InChI=1S/C7H14O4S2/c1-13(10,11)12-6-4-2-3-5-7(8)9/h2-6H2,1H3,(H,8,9) |
| InChIKey | FELVFSYUZJCULW-UHFFFAOYSA-N |
| Molecular Weight | 226.305 g/mol |
| SMILES | C(SS(=O)(=O)C)CCCCC(=O)O |