| SpectraBase Compound ID | AF6pn8UQ927 |
|---|---|
| InChI | InChI=1S/C24H50S2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(26-4)23(2)25-3/h23-24H,5-22H2,1-4H3 |
| InChIKey | MRACLHXJUQITKZ-UHFFFAOYSA-N |
| Mol Weight | 402.8 g/mol |
| Molecular Formula | C24H50S2 |
| Exact Mass | 402.335394 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FI8DRqDCFqY |
|---|---|
| Name | 2,3-bis(Methylthio)docosane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 402.335393958 u |
| Formula | C24H50S2 |
| InChI | InChI=1S/C24H50S2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(26-4)23(2)25-3/h23-24H,5-22H2,1-4H3 |
| InChIKey | MRACLHXJUQITKZ-UHFFFAOYSA-N |
| Molecular Weight | 402.784 g/mol |
| SMILES | C(CCCCCCCCCCCCCCCC)CCC(C(SC)C)SC |