| SpectraBase Compound ID | KmYaolr2BnC |
|---|---|
| InChI | InChI=1S/C23H48S2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(25-4)22(2)24-3/h22-23H,5-21H2,1-4H3 |
| InChIKey | GCWOSVOYJXSLLV-UHFFFAOYSA-N |
| Mol Weight | 388.8 g/mol |
| Molecular Formula | C23H48S2 |
| Exact Mass | 388.319744 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FNSEyC0rx1a |
|---|---|
| Name | 2,3-bis(Methylthio)henicosane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 388.319743894 u |
| Formula | C23H48S2 |
| InChI | InChI=1S/C23H48S2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(25-4)22(2)24-3/h22-23H,5-21H2,1-4H3 |
| InChIKey | GCWOSVOYJXSLLV-UHFFFAOYSA-N |
| Molecular Weight | 388.757 g/mol |
| SMILES | C(CCCCCCCCCCCCCCC)CCC(C(SC)C)SC |