| SpectraBase Compound ID | AV0K5HEC4iF |
|---|---|
| InChI | InChI=1S/C7H14OS/c1-4-9-7(8)5-6(2)3/h6H,4-5H2,1-3H3 |
| InChIKey | SFIBIFKKWPWUGL-UHFFFAOYSA-N |
| Mol Weight | 146.25 g/mol |
| Molecular Formula | C7H14OS |
| Exact Mass | 146.076536 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Gwqmrck6Hk2 |
|---|---|
| Name | Butanethioic acid, 3-methyl-, S-ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 146.076536244 u |
| Formula | C7H14OS |
| InChI | InChI=1S/C7H14OS/c1-4-9-7(8)5-6(2)3/h6H,4-5H2,1-3H3 |
| InChIKey | SFIBIFKKWPWUGL-UHFFFAOYSA-N |
| SMILES | C(C(SCC)=O)C(C)C |