| SpectraBase Spectrum ID |
7SfxqYUTcQN |
| Name |
(R)-1-(4-fluorophenyl)-2-hydroxy-4-p-tolyl-2-(trifluoromethyl)but-3-yn-1-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
336.077342276 u |
| Formula |
C18H12F4O2 |
| InChI |
InChI=1S/C18H12F4O2/c1-12-2-4-13(5-3-12)10-11-17(24,18(20,21)22)16(23)14-6-8-15(19)9-7-14/h2-9,24H,1H3/t17-/m1/s1 |
| InChIKey |
JNKZZESFRUVGTF-QGZVFWFLSA-N |
| Instrument Name |
Agilent 7890A-5975 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201501044 |
| Molecular Weight |
336.286 g/mol |
| Optical Rotation |
[a]D(rt) = +25.0 (c = 1.0, CH2Cl2) |
| Quality |
117 |
| Reported Formula |
C18H12O2F4 |
| SMILES |
O[C@](C#CC1=CC=C(C=C1)C)(C(C1=CC=C(C=C1)F)=O)C(F)(F)F |
| SPLASH |
splash10-00di-2900000000-2523a2700b3b8e43135f |
| Sample Comments |
98% ee |
| Source of Spectrum |
QE-21-SM8-4l (DOI: 10.1002/chem.201501044) |
| Wiley ID |
1906610 |
