| SpectraBase Compound ID | 2VovFbdYhPl |
|---|---|
| InChI | InChI=1S/C11H22O2S/c1-4-5-6-7-8-14-9-10(2)11(12)13-3/h10H,4-9H2,1-3H3 |
| InChIKey | DCMHXRAXZCZDNQ-UHFFFAOYSA-N |
| Mol Weight | 218.35 g/mol |
| Molecular Formula | C11H22O2S |
| Exact Mass | 218.134051 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7A6n3KnEhdh |
|---|---|
| Name | 3-(Hexylthio)-2-methyl-propionic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.134051120 u |
| Formula | C11H22O2S |
| InChI | InChI=1S/C11H22O2S/c1-4-5-6-7-8-14-9-10(2)11(12)13-3/h10H,4-9H2,1-3H3 |
| InChIKey | DCMHXRAXZCZDNQ-UHFFFAOYSA-N |
| Molecular Weight | 218.355 g/mol |
| SMILES | C(C(CSCCCCCC)C)(=O)OC |