| SpectraBase Compound ID | Bf10EUeJkl3 |
|---|---|
| InChI | InChI=1S/C28H54O4S/c1-3-5-7-9-11-13-15-17-19-21-23-31-27(29)25-33-26-28(30)32-24-22-20-18-16-14-12-10-8-6-4-2/h3-26H2,1-2H3 |
| InChIKey | TVYHCEXFDOSFIF-UHFFFAOYSA-N |
| Mol Weight | 486.8 g/mol |
| Molecular Formula | C28H54O4S |
| Exact Mass | 486.374281 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5ty0BpKFF55 |
|---|---|
| Name | Didodecanyl thiodiglycollate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 486.374281389 u |
| Formula | C28H54O4S |
| InChI | InChI=1S/C28H54O4S/c1-3-5-7-9-11-13-15-17-19-21-23-31-27(29)25-33-26-28(30)32-24-22-20-18-16-14-12-10-8-6-4-2/h3-26H2,1-2H3 |
| InChIKey | TVYHCEXFDOSFIF-UHFFFAOYSA-N |
| Molecular Weight | 486.796 g/mol |
| SMILES | C(CCCOC(CSCC(OCCCCCCCCCCCC)=O)=O)CCCCCCCC |