| SpectraBase Spectrum ID |
AG6BuqZCF2z |
| Name |
(R,E)-(5,5,5-Trifluoro-1-phenylpent-3-en-2-yl)(trifluoromethyl)sulfane |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H10F6S |
| InChI |
InChI=1S/C12H10F6S/c13-11(14,15)7-6-10(19-12(16,17)18)8-9-4-2-1-3-5-9/h1-7,10H,8H2/b7-6+/t10-/m0/s1 |
| InChIKey |
WFAANNNIENIDBH-FGEFZZPRSA-N |
| Instrument Name |
GCMS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202210509 |
| Molecular Weight |
300.262 g/mol |
| Optical Rotation |
[a]D25.9 = -5 (c = 0.1, CHCl3) |
| Quality |
93 |
| SMILES |
[C@@](\C=C\C(F)(F)F)(CC1=CC=CC=C1)(SC(F)(F)F)[H] |
| SPLASH |
splash10-0006-9000000000-5940cd5282f14c8bf28d |
| Sample Comments |
93% ee |
| Source of Spectrum |
ACI-61-SM16-3b (DOI: 10.1002/anie.202210509) |
| Wiley ID |
1899608 |
