| SpectraBase Spectrum ID |
ATPLcqzs5Ky |
| Name |
(S,E)-(6,6,6-trifluoro-2,2-dimethylhex-4-en-3-yl)(trifluoromethyl)sulfane |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
266.056390538 u |
| Formula |
C9H12F6S |
| InChI |
InChI=1S/C9H12F6S/c1-7(2,3)6(16-9(13,14)15)4-5-8(10,11)12/h4-6H,1-3H3/b5-4+/t6-/m0/s1 |
| InChIKey |
YJUCXPNQZCVDOA-OVCGOVNKSA-N |
| Instrument Name |
GCMS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202210509 |
| Molecular Weight |
266.245 g/mol |
| Optical Rotation |
[a]D25.5 = -20 (c = 0.2, CHCl3) |
| Quality |
203 |
| SMILES |
C(C)([C@](\C=C\C(F)(F)F)(SC(F)(F)F)[H])(C)C |
| SPLASH |
splash10-0a4i-9100000000-67d9b93cb2bd573d2b72 |
| Sample Comments |
98% ee |
| Source of Spectrum |
ACI-61-SM20-3h (DOI: 10.1002/anie.202210509) |
| Wiley ID |
1899612 |
