| SpectraBase Spectrum ID |
40pyxQslCqx |
| Name |
(R)-1-(4-fluorophenyl)-2-hydroxy-4-phenyl-2-(trifluoromethyl)but-3-yn-1-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
322.061692212 u |
| Formula |
C17H10F4O2 |
| InChI |
InChI=1S/C17H10F4O2/c18-14-8-6-13(7-9-14)15(22)16(23,17(19,20)21)11-10-12-4-2-1-3-5-12/h1-9,23H/t16-/m1/s1 |
| InChIKey |
PALLKRPKVNJECC-MRXNPFEDSA-N |
| Instrument Name |
Agilent 7890A-5975 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201501044 |
| Molecular Weight |
322.259 g/mol |
| Optical Rotation |
[a]D(rt) = +40.4 (c = 1.0, CH2Cl2) |
| Quality |
210 |
| Reported Formula |
C17H10O2F4 |
| SMILES |
O[C@](C#CC=1C=CC=CC1)(C(C1=CC=C(C=C1)F)=O)C(F)(F)F |
| SPLASH |
splash10-00di-3900000000-3680a1ed20393984e381 |
| Sample Comments |
>99% ee |
| Source of Spectrum |
QE-21-SM7-4i (DOI: 10.1002/chem.201501044) |
| Wiley ID |
1906607 |
