| SpectraBase Spectrum ID |
LYKm80AKZkc |
| Name |
Hexanenitrile, 5-methyl-2-(3-methylbutyl)-2-(phenylthio)- |
| Alternate Name(s) |
2-isopentyl-5-methyl-2-(phenylsulfanyl)hexanenitrile
5-Methyl-2-(3-methylbutyl)-2-phenylthiohexanonitrile |
| CAS Registry Number |
66164-79-2 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H27NS |
| InChI |
InChI=1S/C18H27NS/c1-15(2)10-12-18(14-19,13-11-16(3)4)20-17-8-6-5-7-9-17/h5-9,15-16H,10-13H2,1-4H3 |
| InChIKey |
GXXRFRRRNOBADW-UHFFFAOYSA-N |
| Molecular Weight |
289.481 g/mol |
| SMILES |
C(#N)C(Sc1ccccc1)(CCC(C)C)CCC(C)C |
| SPLASH |
splash10-03di-0960000000-a8c27cfae5835dac4b30 |
| Source of Spectrum |
KC-1977-20-2279 |
| Wiley ID |
1292841 |
