| SpectraBase Compound ID | GyD37M7LlcS |
|---|---|
| InChI | InChI=1S/C13H16OS/c1-13(2,3)9-10-15(14)11-12-7-5-4-6-8-12/h4-8H,11H2,1-3H3 |
| InChIKey | HRUHAVCBQMVCNI-UHFFFAOYSA-N |
| Mol Weight | 220.33 g/mol |
| Molecular Formula | C13H16OS |
| Exact Mass | 220.092186 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8I8PwdOesoF |
|---|---|
| Name | 3,3-Dimethylbut-1-ynylsulfinylmethylbenzene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H16OS |
| InChI | InChI=1S/C13H16OS/c1-13(2,3)9-10-15(14)11-12-7-5-4-6-8-12/h4-8H,11H2,1-3H3 |
| InChIKey | HRUHAVCBQMVCNI-UHFFFAOYSA-N |
| Molecular Weight | 220.330 g/mol |
| SMILES | C(#CC(C)(C)C)S(=O)Cc1ccccc1 |
| SPLASH | splash10-0006-9000000000-6a1d96838609a3ab8cee |
| Source of Spectrum | D1-2006-3292-2 |
| Wiley ID | 1614302 |