| SpectraBase Compound ID | InXPwJd8tAB |
|---|---|
| InChI | InChI=1S/C5H8OS/c1-5(2)3-4(6)7-5/h3H2,1-2H3 |
| InChIKey | BHMHGGHJMPCCSZ-UHFFFAOYSA-N |
| Mol Weight | 116.18 g/mol |
| Molecular Formula | C5H8OS |
| Exact Mass | 116.029586 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Kvn4ep6VxbG |
|---|---|
| Name | 4,4-Dimethyl-2-thietanone |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C5H8OS |
| InChI | InChI=1S/C5H8OS/c1-5(2)3-4(6)7-5/h3H2,1-2H3 |
| InChIKey | BHMHGGHJMPCCSZ-UHFFFAOYSA-N |
| Molecular Weight | 116.178 g/mol |
| SMILES | C1(SC(C1)(C)C)=O |
| SPLASH | splash10-0a4i-9000000000-2cc337479477b7ede8f2 |
| Source of Spectrum | KC-1992-1217-13 |
| Synonyms | 4,4-Dimethylthietan-2-one |
| Wiley ID | 776354 |