| SpectraBase Compound ID | BfaBEcSQM3G |
|---|---|
| InChI | InChI=1S/C12H14S/c1-12(2,3)13-10-9-11-7-5-4-6-8-11/h4-8H,1-3H3 |
| InChIKey | XYNMQKLQCKTJJK-UHFFFAOYSA-N |
| Mol Weight | 190.3 g/mol |
| Molecular Formula | C12H14S |
| Exact Mass | 190.081622 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CVEFSQaoHc9 |
|---|---|
| Name | Tert-Butyl(phenylethynyl)sulfane |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H14S |
| InChI | InChI=1S/C12H14S/c1-12(2,3)13-10-9-11-7-5-4-6-8-11/h4-8H,1-3H3 |
| InChIKey | XYNMQKLQCKTJJK-UHFFFAOYSA-N |
| Literature Reference DOI | 10.1021/jo500814y |
| Molecular Weight | 190.304 g/mol |
| SMILES | c1cccc(C#CSC(C)(C)C)c1 |
| SPLASH | splash10-001i-4900000000-e9c988130c31fe42a475 |
| Source of Spectrum | J-79-5873-4a |
| Wiley ID | 1746295 |