| SpectraBase Compound ID | CKkTMFR9oH4 |
|---|---|
| InChI | InChI=1S/C22H44O2S2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20(25-3)21(26-4)18-19-22(23)24-2/h20-21H,5-19H2,1-4H3 |
| InChIKey | SNIIOVZUXYKSID-UHFFFAOYSA-N |
| Mol Weight | 404.7 g/mol |
| Molecular Formula | C22H44O2S2 |
| Exact Mass | 404.278273 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AcWfPZVnGV2 |
|---|---|
| Name | Methyl 4,5-bis(methylthio)-nonadecanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 404.278273003 u |
| Formula | C22H44O2S2 |
| InChI | InChI=1S/C22H44O2S2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20(25-3)21(26-4)18-19-22(23)24-2/h20-21H,5-19H2,1-4H3 |
| InChIKey | SNIIOVZUXYKSID-UHFFFAOYSA-N |
| Molecular Weight | 404.712 g/mol |
| SMILES | C(CCC(C(CCCCCCCCCCCCCC)SC)SC)(=O)OC |