| SpectraBase Compound ID | J8TRs5NDo3 |
|---|---|
| InChI | InChI=1S/C16H15ClN2S/c17-16(13-18,20-15-10-4-5-12-19-15)11-6-9-14-7-2-1-3-8-14/h1-5,7-8,10,12H,6,9,11H2 |
| InChIKey | URSQRRZKEPYYDD-UHFFFAOYSA-N |
| Mol Weight | 302.82 g/mol |
| Molecular Formula | C16H15ClN2S |
| Exact Mass | 302.064447 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4PL2MfpTxA |
|---|---|
| Name | 2-Chloro-2-(2'-thiopyridyl)butanitrile |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H15ClN2S |
| InChI | InChI=1S/C16H15ClN2S/c17-16(13-18,20-15-10-4-5-12-19-15)11-6-9-14-7-2-1-3-8-14/h1-5,7-8,10,12H,6,9,11H2 |
| InChIKey | URSQRRZKEPYYDD-UHFFFAOYSA-N |
| Molecular Weight | 302.823 g/mol |
| SMILES | C(Sc1ncccc1)(C#N)(Cl)CCCc1ccccc1 |
| SPLASH | splash10-03dl-7940000000-dffffd0194e88565eef1 |
| Source of Spectrum | F-51-1880-17 |
| Wiley ID | 790863 |