| SpectraBase Spectrum ID |
AOtWGNdwhtv |
| Name |
(S)-3-[Chloro-((R)-toluene-4-sulfinyl)-methyl]-3-methyl-heptanenitrile |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H22ClNOS |
| InChI |
InChI=1S/C16H22ClNOS/c1-4-5-10-16(3,11-12-18)15(17)20(19)14-8-6-13(2)7-9-14/h6-9,15H,4-5,10-11H2,1-3H3/t15?,16-,20?/m0/s1 |
| InChIKey |
ODLTUJVXXQLDOG-XGNAPRINSA-N |
| Molecular Weight |
311.871 g/mol |
| SMILES |
C([S@@](c1ccc(cc1)C)=O)([C@](CC#N)(CCCC)C)Cl |
| SPLASH |
splash10-0006-0900000000-b6e294125f79e5c6f846 |
| Source of Spectrum |
KC-61-1254-16 |
| Synonyms |
(3S)-3-{chloro[(4-methylphenyl)sulfinyl]methyl}-3-methylheptanenitrile
(S)-(Rs)-2-[Chloro(p-tolylsulfinyl)methyl]-2-methylhexanenitrile |
| Wiley ID |
1627413 |
![(S)-3-[Chloro-((R)-toluene-4-sulfinyl)-methyl]-3-methyl-heptanenitrile](/api/spectrum/AOtWGNdwhtv/structure.png?h=300&w=458 "(S)-3-[Chloro-((R)-toluene-4-sulfinyl)-methyl]-3-methyl-heptanenitrile")
