| SpectraBase Compound ID | ARenVArpUGX |
|---|---|
| InChI | InChI=1S/C18H36O3S2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(19)17-22-23(2,20)21/h3-17H2,1-2H3 |
| InChIKey | NACZKNPVBZILQZ-UHFFFAOYSA-N |
| Mol Weight | 364.6 g/mol |
| Molecular Formula | C18H36O3S2 |
| Exact Mass | 364.210587 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LICIywFAyUJ |
|---|---|
| Name | S-(2-Oxoheptadecyl) methanesulphonothioate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 364.210587364 u |
| Formula | C18H36O3S2 |
| InChI | InChI=1S/C18H36O3S2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(19)17-22-23(2,20)21/h3-17H2,1-2H3 |
| InChIKey | NACZKNPVBZILQZ-UHFFFAOYSA-N |
| Molecular Weight | 364.603 g/mol |
| SMILES | C(SS(=O)(=O)C)C(=O)CCCCCCCCCCCCCCC |