| SpectraBase Spectrum ID |
AoKsW1WoknH |
| Name |
(R)-2-hydroxy-1-(thiophen-2-yl)-2-(trifluoromethyl)hept-3-yn-1-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
276.043185255 u |
| Formula |
C12H11F3O2S |
| InChI |
InChI=1S/C12H11F3O2S/c1-2-3-4-7-11(17,12(13,14)15)10(16)9-6-5-8-18-9/h5-6,8,17H,2-3H2,1H3/t11-/m1/s1 |
| InChIKey |
IEINDJKJQZSQTP-LLVKDONJSA-N |
| Instrument Name |
Agilent 7890A-5975 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201501044 |
| Molecular Weight |
276.273 g/mol |
| Optical Rotation |
[a]D(rt) = +76.9 (c = 1.0, CH2Cl2) |
| Quality |
396 |
| Reported Formula |
C12H11O2F3S |
| SMILES |
O[C@](C#CCCC)(C(C1=CC=CS1)=O)C(F)(F)F |
| SPLASH |
splash10-03di-0900000000-83b422f9e14032ea7f37 |
| Sample Comments |
98% ee |
| Source of Spectrum |
QE-21-SM4-4d (DOI: 10.1002/chem.201501044) |
| Wiley ID |
1906602 |
