| SpectraBase Compound ID | 65EZ81Ucy0w |
|---|---|
| InChI | InChI=1S/C17H36O2SSi/c1-5-6-7-8-9-10-11-12-13-14-15-20-16-17(18)19-21(2,3)4/h5-16H2,1-4H3 |
| InChIKey | JHOZDJCHBRIAFK-UHFFFAOYSA-N |
| Mol Weight | 332.6 g/mol |
| Molecular Formula | C17H36O2SSi |
| Exact Mass | 332.220528 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8gxiUoZSz2r |
|---|---|
| Name | (Dodecylsulfanyl)acetic acid, tms derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 332.220528106 u |
| Formula | C17H36O2SSi |
| InChI | InChI=1S/C17H36O2SSi/c1-5-6-7-8-9-10-11-12-13-14-15-20-16-17(18)19-21(2,3)4/h5-16H2,1-4H3 |
| InChIKey | JHOZDJCHBRIAFK-UHFFFAOYSA-N |
| Molecular Weight | 332.618 g/mol |
| SMILES | C(SCC(=O)O[Si](C)(C)C)CCCCCCCCCCC |