| SpectraBase Compound ID | CLN0Os7GNhI |
|---|---|
| InChI | InChI=1S/C24H48O2S2/c1-5-6-16-19-22(27-3)23(28-4)20-17-14-12-10-8-7-9-11-13-15-18-21-24(25)26-2/h22-23H,5-21H2,1-4H3 |
| InChIKey | GSTQUFCMOSYCCL-UHFFFAOYSA-N |
| Mol Weight | 432.8 g/mol |
| Molecular Formula | C24H48O2S2 |
| Exact Mass | 432.309573 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FPTZK3mmUc8 |
|---|---|
| Name | Methyl 15,16-bis(methylthio)-heneicosanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 432.309573132 u |
| Formula | C24H48O2S2 |
| InChI | InChI=1S/C24H48O2S2/c1-5-6-16-19-22(27-3)23(28-4)20-17-14-12-10-8-7-9-11-13-15-18-21-24(25)26-2/h22-23H,5-21H2,1-4H3 |
| InChIKey | GSTQUFCMOSYCCL-UHFFFAOYSA-N |
| Molecular Weight | 432.766 g/mol |
| SMILES | C(=O)(OC)CCCCCCCCCCCCCC(C(SC)CCCCC)SC |