| SpectraBase Compound ID | 6aRUyBpupx9 |
|---|---|
| InChI | InChI=1S/C12H13BrS/c1-12(2,3)14-9-8-10-4-6-11(13)7-5-10/h4-7H,1-3H3 |
| InChIKey | WHWHVLUZGXPROO-UHFFFAOYSA-N |
| Mol Weight | 269.2 g/mol |
| Molecular Formula | C12H13BrS |
| Exact Mass | 267.992135 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4x69Ae3ODI |
|---|---|
| Name | ((4-Bromophenyl)ethynyl)(tert-butyl)sulfane |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H13BrS |
| InChI | InChI=1S/C12H13BrS/c1-12(2,3)14-9-8-10-4-6-11(13)7-5-10/h4-7H,1-3H3 |
| InChIKey | WHWHVLUZGXPROO-UHFFFAOYSA-N |
| Literature Reference DOI | 10.1021/jo500814y |
| Molecular Weight | 269.200 g/mol |
| SMILES | c1cc(C#CSC(C)(C)C)ccc1Br |
| SPLASH | splash10-03di-0190000000-316626f78dd50da8372d |
| Source of Spectrum | J-79-5873-4c |
| Wiley ID | 1746297 |