| SpectraBase Compound ID | 2oNdpjjO6Rg |
|---|---|
| InChI | InChI=1S/C8H16O2S/c1-8(2,3)11-6-4-5-7(9)10/h4-6H2,1-3H3,(H,9,10) |
| InChIKey | PIJNFICPTMPDNZ-UHFFFAOYSA-N |
| Mol Weight | 176.27 g/mol |
| Molecular Formula | C8H16O2S |
| Exact Mass | 176.087101 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 31ayot7HGWT |
|---|---|
| Name | 4-(Tert-butylthio)butanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 176.087100927 u |
| Formula | C8H16O2S |
| InChI | InChI=1S/C8H16O2S/c1-8(2,3)11-6-4-5-7(9)10/h4-6H2,1-3H3,(H,9,10) |
| InChIKey | PIJNFICPTMPDNZ-UHFFFAOYSA-N |
| Molecular Weight | 176.274 g/mol |
| SMILES | CC(C)(C)SCCCC(=O)O |