| SpectraBase Spectrum ID |
GmBOXUPsH7m |
| Name |
(R)-1-(furan-2-yl)-2-hydroxy-4-p-tolyl-2-(trifluoromethyl)but-2-yn-1-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
308.066028700 u |
| Formula |
C16H11F3O3 |
| InChI |
InChI=1S/C16H11F3O3/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 |
WLSPITVPBCLMHU-OAHLLOKOSA-N |
| Instrument Name |
Agilent 7890A-5975 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201501044 |
| Molecular Weight |
308.256 g/mol |
| Optical Rotation |
[a]D(rt) = +28.0 (c = 1.0, CH2Cl2) |
| Quality |
213 |
| Reported Formula |
C16H11O3F3 |
| SMILES |
O[C@](C#CC1=CC=C(C=C1)C)(C(C1=CC=CO1)=O)C(F)(F)F |
| SPLASH |
splash10-0005-8940000000-989db92234e4a0550dfa |
| Sample Comments |
84% ee |
| Source of Spectrum |
QE-21-SM8-4k (DOI: 10.1002/chem.201501044) |
| Wiley ID |
1906609 |
