| SpectraBase Compound ID | 269N7tlFNXk |
|---|---|
| InChI | InChI=1S/C11H13NS/c1-11(2,3)13-10-7-5-4-6-9(10)8-12/h4-7H,1-3H3 |
| InChIKey | KPYXPHNDRNMZGJ-UHFFFAOYSA-N |
| Mol Weight | 191.29 g/mol |
| Molecular Formula | C11H13NS |
| Exact Mass | 191.076871 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6mBFDdQkaBC |
|---|---|
| Name | 2-(tert-Butylthio)benzonitrile |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C11H13NS |
| InChI | InChI=1S/C11H13NS/c1-11(2,3)13-10-7-5-4-6-9(10)8-12/h4-7H,1-3H3 |
| InChIKey | KPYXPHNDRNMZGJ-UHFFFAOYSA-N |
| Literature Reference DOI | 10.1021/acs.orglett.6b00208 |
| Molecular Weight | 191.292 g/mol |
| SMILES | C(c1c(cccc1)SC(C)(C)C)#N |
| SPLASH | splash10-052r-4900000000-5312ec3664d87edef571 |
| Source of Spectrum | A1-18-876/SM24-3x |
| Wiley ID | 1805255 |