| SpectraBase Compound ID | Hz789PhY7KB |
|---|---|
| InChI | InChI=1S/C22H46S2/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(24-4)21(6-2)23-3/h21-22H,5-20H2,1-4H3 |
| InChIKey | IKUIKHILHOAVQL-UHFFFAOYSA-N |
| Mol Weight | 374.7 g/mol |
| Molecular Formula | C22H46S2 |
| Exact Mass | 374.304094 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HfrGgxRdtvs |
|---|---|
| Name | 3,4-bis(Methylthio)icosane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 374.304093829 u |
| Formula | C22H46S2 |
| InChI | InChI=1S/C22H46S2/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(24-4)21(6-2)23-3/h21-22H,5-20H2,1-4H3 |
| InChIKey | IKUIKHILHOAVQL-UHFFFAOYSA-N |
| Molecular Weight | 374.730 g/mol |
| SMILES | C(CCCCCCCCCCCCCC(C(SC)CC)SC)CC |