| SpectraBase Spectrum ID |
11cq5wTIhIa |
| Name |
(S,E)-(4,4,4-Trifluoro-1-phenylbut-2-en-1-yl)(trifluoromethyl)sulfane |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
286.025090410 u |
| Formula |
C11H8F6S |
| InChI |
InChI=1S/C11H8F6S/c12-10(13,14)7-6-9(18-11(15,16)17)8-4-2-1-3-5-8/h1-7,9H/b7-6+/t9-/m0/s1 |
| InChIKey |
URWLVJNRGZODDT-UCUJLANTSA-N |
| Instrument Name |
GCMS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202210509 |
| Molecular Weight |
286.235 g/mol |
| Optical Rotation |
[a]D26.7 = -47 (c = 0.1, CHCl3) |
| Quality |
89 |
| SMILES |
C1=CC=C(C=C1)[C@](\C=C\C(F)(F)F)(SC(F)(F)F)[H] |
| SPLASH |
splash10-014r-0900000000-a9b58c519155c87a449b |
| Sample Comments |
98% ee |
| Source of Spectrum |
ACI-61-SM20-3g (DOI: 10.1002/anie.202210509) |
| Wiley ID |
1899611 |
