| SpectraBase Compound ID | 4BOjH4SybmP |
|---|---|
| InChI | InChI=1S/C19H38O2S2/c1-5-6-7-11-14-17(22-3)18(23-4)15-12-9-8-10-13-16-19(20)21-2/h17-18H,5-16H2,1-4H3 |
| InChIKey | SBKGAMDATFXIQQ-UHFFFAOYSA-N |
| Mol Weight | 362.6 g/mol |
| Molecular Formula | C19H38O2S2 |
| Exact Mass | 362.231323 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B1w2lchUygq |
|---|---|
| Name | 9,10-di(Methylthio)hexadecanoic acid, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 362.231322810 u |
| Formula | C19H38O2S2 |
| InChI | InChI=1S/C19H38O2S2/c1-5-6-7-11-14-17(22-3)18(23-4)15-12-9-8-10-13-16-19(20)21-2/h17-18H,5-16H2,1-4H3 |
| InChIKey | SBKGAMDATFXIQQ-UHFFFAOYSA-N |
| Molecular Weight | 362.631 g/mol |
| SMILES | C(CC(C(SC)CCCCCCCC(OC)=O)SC)CCCC |