| SpectraBase Spectrum ID |
CMJCYNQUsm2 |
| Name |
(R)-2-hydroxy-1-(thiophen-2-yl)-4-p-tolyl-2-(trifluoromethyl)but-3-yn-1-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
324.043185255 u |
| Formula |
C16H11F3O2S |
| InChI |
InChI=1S/C16H11F3O2S/c1-11-4-6-12(7-5-11)8-9-15(21,16(17,18)19)14(20)13-3-2-10-22-13/h2-7,10,21H,1H3/t15-/m1/s1 |
| InChIKey |
WBXDPYHHIDRGSG-OAHLLOKOSA-N |
| Instrument Name |
Agilent 7890A-5975 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201501044 |
| Molecular Weight |
324.317 g/mol |
| Optical Rotation |
[a]D(rt) = +34.3 (c = 1.0, CH2Cl2) |
| Quality |
323 |
| Reported Formula |
C16H11O2F3S |
| SMILES |
O[C@](C#CC=1C=CC(=CC1)C)(C(C1=CC=CS1)=O)C(F)(F)F |
| SPLASH |
splash10-03dl-1902000000-68d445b7c94065a2fc1d |
| Sample Comments |
95% ee |
| Source of Spectrum |
QE-21-SM3-4b (DOI: 10.1002/chem.201501044) |
| Wiley ID |
1906600 |
