| SpectraBase Spectrum ID |
8CEKX8I5H4h |
| Name |
(R)-2-hydroxy-4-phenyl-1-(thiophen-2-yl)-2-(trifluoromethyl)but-3-yn-1-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
310.027535191 u |
| Formula |
C15H9F3O2S |
| InChI |
InChI=1S/C15H9F3O2S/c16-15(17,18)14(20,13(19)12-7-4-10-21-12)9-8-11-5-2-1-3-6-11/h1-7,10,20H/t14-/m1/s1 |
| InChIKey |
CYJXUIFOOWTQEK-CQSZACIVSA-N |
| Instrument Name |
Agilent 7890A-5975 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201501044 |
| Molecular Weight |
310.290 g/mol |
| Optical Rotation |
[a]D(rt) = +46.1 (c = 1.0, CH2Cl2) |
| Quality |
264 |
| Reported Formula |
C15H9O2F3S |
| SMILES |
O[C@](C#CC=1C=CC=CC1)(C(C1=CC=CS1)=O)C(F)(F)F |
| SPLASH |
splash10-03di-0900000000-b199d139acd0ecc0df97 |
| Sample Comments |
97% ee |
| Source of Spectrum |
QE-21-SM2-4a (DOI: 10.1002/chem.201501044) |
| Wiley ID |
1906599 |
