| SpectraBase Spectrum ID |
6Mmv21y9w68 |
| Name |
(R)-2-hydroxy-4-phenyl-2-(trifluoromethyl)-1-(4-(trifluoromethyl)-phenyl)but-3-yn-1-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H10F6O2 |
| InChI |
InChI=1S/C18H10F6O2/c19-17(20,21)14-8-6-13(7-9-14)15(25)16(26,18(22,23)24)11-10-12-4-2-1-3-5-12/h1-9,26H/t16-/m1/s1 |
| InChIKey |
IGHUWHSXEPMVQF-MRXNPFEDSA-N |
| Instrument Name |
Agilent 7890A-5975 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201501044 |
| Molecular Weight |
372.266 g/mol |
| Optical Rotation |
[a]D(rt) = 16.9 (c = 1.0, CH2Cl2) |
| Quality |
179 |
| Reported Formula |
C18H10O2F6 |
| SMILES |
O[C@](C#CC=1C=CC=CC1)(C(C1=CC=C(C=C1)C(F)(F)F)=O)C(F)(F)F |
| SPLASH |
splash10-00di-0900000000-10b7a41ec05fd930c4b2 |
| Sample Comments |
99% ee |
| Source of Spectrum |
QE-21-SM7-4j (DOI: 10.1002/chem.201501044) |
| Wiley ID |
1906608 |
