| SpectraBase Spectrum ID |
3OnIVNC4G8d |
| Name |
(R,E)-(1-Cyclohexyl-4,4,4-trifluorobut-2-en-1-yl)(trifluoromethyl)sulfane |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
292.072040603 u |
| Formula |
C11H14F6S |
| InChI |
InChI=1S/C11H14F6S/c12-10(13,14)7-6-9(18-11(15,16)17)8-4-2-1-3-5-8/h6-9H,1-5H2/b7-6+/t9-/m0/s1 |
| InChIKey |
JSOXBZMDEHINJH-UCUJLANTSA-N |
| Instrument Name |
GCMS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202210509 |
| Molecular Weight |
292.283 g/mol |
| Optical Rotation |
[a]D25.5 = -19 (c = 0.1, CHCl3) |
| Quality |
126 |
| SMILES |
C1CCC(CC1)[C@](\C=C\C(F)(F)F)(SC(F)(F)F)[H] |
| SPLASH |
splash10-001i-9000000000-27fa2dc0fef33d3bd96f |
| Sample Comments |
97.5% ee |
| Source of Spectrum |
ACI-61-SM19-3f (DOI: 10.1002/anie.202210509) |
| Wiley ID |
1899610 |
