| SpectraBase Compound ID | 2JFFjWF2mYN |
|---|---|
| InChI | InChI=1S/C11H22O2S/c1-4-5-6-7-8-14-10(2)9-11(12)13-3/h10H,4-9H2,1-3H3 |
| InChIKey | WZCCMHGUIABNHI-UHFFFAOYSA-N |
| Mol Weight | 218.35 g/mol |
| Molecular Formula | C11H22O2S |
| Exact Mass | 218.134051 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Fzn5PydsfUX |
|---|---|
| Name | 3-(hexylthio)butanoic acid methyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C11H22O2S |
| InChI | InChI=1S/C11H22O2S/c1-4-5-6-7-8-14-10(2)9-11(12)13-3/h10H,4-9H2,1-3H3 |
| InChIKey | WZCCMHGUIABNHI-UHFFFAOYSA-N |
| Molecular Weight | 218.355 g/mol |
| SMILES | C(CC(SCCCCCC)C)(=O)OC |
| SPLASH | splash10-0pb9-9600000000-4f9a786164d567527b25 |
| Source of Spectrum | SK-26-2193-0 |
| Synonyms | 3-(hexylthio)butyric acid methyl ester |
| Wiley ID | 867188 |