| SpectraBase Compound ID | 9HpuFSGdOSb |
|---|---|
| InChI | InChI=1S/C13H17NS/c1-2-3-5-10-13(11-14)15-12-8-6-4-7-9-12/h4,6-9,13H,2-3,5,10H2,1H3 |
| InChIKey | CTGUAHAVSOINQE-UHFFFAOYSA-N |
| Mol Weight | 219.35 g/mol |
| Molecular Formula | C13H17NS |
| Exact Mass | 219.108171 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CL0VpMvEBWj |
|---|---|
| Name | .alpha.-(Phenylthio) Hexyl Cyanide |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H17NS |
| InChI | InChI=1S/C13H17NS/c1-2-3-5-10-13(11-14)15-12-8-6-4-7-9-12/h4,6-9,13H,2-3,5,10H2,1H3 |
| InChIKey | CTGUAHAVSOINQE-UHFFFAOYSA-N |
| Molecular Weight | 219.346 g/mol |
| SMILES | C(#N)C(Sc1ccccc1)CCCCC |
| SPLASH | splash10-02t9-6960000000-7ffc7a64ee7a62a67a93 |
| Source of Spectrum | SK-20-1946-3d |
| Synonyms | 2-(Phenylthio)heptanenitrile |
| Wiley ID | 1733790 |