| SpectraBase Spectrum ID |
ElBnE3e7Vt8 |
| Name |
(R)-4-cyclohexyl-2-hydroxy-1-(thiophen-2-yl)-2-(trifluoromethyl)but-3-yn-1-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
316.074485384 u |
| Formula |
C15H15F3O2S |
| InChI |
InChI=1S/C15H15F3O2S/c16-15(17,18)14(20,13(19)12-7-4-10-21-12)9-8-11-5-2-1-3-6-11/h4,7,10-11,20H,1-3,5-6H2/t14-/m1/s1 |
| InChIKey |
FZHGJJGDJYTLLV-CQSZACIVSA-N |
| Instrument Name |
Agilent 7890A-5975 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201501044 |
| Molecular Weight |
316.338 g/mol |
| Optical Rotation |
[a]D(rt) = +100.0 (c = 1.0, CH2Cl2) |
| Quality |
229 |
| Reported Formula |
C15H15O2F3S |
| SMILES |
O[C@](C#CC1CCCCC1)(C(C1=CC=CS1)=O)C(F)(F)F |
| SPLASH |
splash10-03di-1900000000-899ffa13de856b0d351e |
| Sample Comments |
98% ee |
| Source of Spectrum |
QE-21-SM4-4e (DOI: 10.1002/chem.201501044) |
| Wiley ID |
1906603 |
