| SpectraBase Spectrum ID |
FI4woE2qeqv |
| Name |
Phenyl(2-(trichloromethyl)cyclohexyl)sulfane |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H15Cl3S |
| InChI |
InChI=1S/C13H15Cl3S/c14-13(15,16)11-8-4-5-9-12(11)17-10-6-2-1-3-7-10/h1-3,6-7,11-12H,4-5,8-9H2 |
| InChIKey |
YTPKRPNLQRCRSB-UHFFFAOYSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/adsc.202000657 |
| Molecular Weight |
309.682 g/mol |
| Reported Formula |
C13H15Cl3S |
| SMILES |
C1CC(C(CC1)Sc1ccccc1)C(Cl)(Cl)Cl |
| SPLASH |
splash10-03di-1913000000-b1c94c2cf758ea09c324 |
| Sample Comments |
mixture of trans and cis diastereoisomers (dr = 7:3), |
| Source of Spectrum |
ASC-362-SM12-3h |
| Wiley ID |
1855535 |
