| SpectraBase Compound ID | F69I1vCfweT |
|---|---|
| InChI | InChI=1S/C30H58O2S2/c1-3-5-7-9-11-13-15-17-19-23-27-33-29(31)25-21-22-26-30(32)34-28-24-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3 |
| InChIKey | PSWMHHSFLHHCTF-UHFFFAOYSA-N |
| Mol Weight | 514.9 g/mol |
| Molecular Formula | C30H58O2S2 |
| Exact Mass | 514.387823 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2HRFEm3oUAa |
|---|---|
| Name | Dodecyl hexanedithiolate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 514.387823454 u |
| Formula | C30H58O2S2 |
| InChI | InChI=1S/C30H58O2S2/c1-3-5-7-9-11-13-15-17-19-23-27-33-29(31)25-21-22-26-30(32)34-28-24-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3 |
| InChIKey | PSWMHHSFLHHCTF-UHFFFAOYSA-N |
| Molecular Weight | 514.912 g/mol |
| SMILES | C(C(SCCCCCCCCCCCC)=O)CCCC(SCCCCCCCCCCCC)=O |