| SpectraBase Compound ID | KzAsZKiBxXf |
|---|---|
| InChI | InChI=1S/C31H64S2/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-31(33-4)30(6-2)32-3/h30-31H,5-29H2,1-4H3 |
| InChIKey | MHJJWGPWTOKKJK-UHFFFAOYSA-N |
| Mol Weight | 501.0 g/mol |
| Molecular Formula | C31H64S2 |
| Exact Mass | 500.444944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GtxWy7BbZY8 |
|---|---|
| Name | 3,4-bis(Methylthio)nonacosane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 500.444944409 u |
| Formula | C31H64S2 |
| InChI | InChI=1S/C31H64S2/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-31(33-4)30(6-2)32-3/h30-31H,5-29H2,1-4H3 |
| InChIKey | MHJJWGPWTOKKJK-UHFFFAOYSA-N |
| Molecular Weight | 500.973 g/mol |
| SMILES | C(CCCCCCCCCCCCCCCCCCCCCC)CCC(C(SC)CC)SC |