| SpectraBase Compound ID | 3HG79zm3SUd |
|---|---|
| InChI | InChI=1S/C8H16O2S/c1-6(5-7(9)10)11-8(2,3)4/h6H,5H2,1-4H3,(H,9,10) |
| InChIKey | MCEITVZKBZDRAO-UHFFFAOYSA-N |
| Mol Weight | 176.27 g/mol |
| Molecular Formula | C8H16O2S |
| Exact Mass | 176.087101 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7wPv7HI3wGw |
|---|---|
| Name | 3-(tert-Butylthio)butanoic acid |
| Alternate Name(s) | 3-tert-Butylsulfanylbutanoic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H16O2S |
| InChI | InChI=1S/C8H16O2S/c1-6(5-7(9)10)11-8(2,3)4/h6H,5H2,1-4H3,(H,9,10) |
| InChIKey | MCEITVZKBZDRAO-UHFFFAOYSA-N |
| Molecular Weight | 176.274 g/mol |
| SMILES | OC(CC(C)SC(C)(C)C)=O |
| SPLASH | splash10-0006-9100000000-fb43fbdbe3975b55d47b |
| Source of Spectrum | SO-0-84-2 |
| Wiley ID | 1542870 |