| SpectraBase Spectrum ID |
BOkdrbGXXwy |
| Name |
Ethyl (S)-4,4,4-trifluoro-3-(4-fluorophenyl)butanoate |
| Appearance |
Colourless oil |
| Carrier Gas |
Helium |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
264.077342276 u |
| Formula |
C12H12F4O2 |
| InChI |
InChI=1S/C12H12F4O2/c1-2-18-11(17)7-10(12(14,15)16)8-3-5-9(13)6-4-8/h3-6,10H,2,7H2,1H3/t10-/m0/s1 |
| InChIKey |
QHHJHSRWNLZMDM-JTQLQIEISA-N |
| Instrument Name |
GCMS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.202202059 |
| Molecular Weight |
264.220 g/mol |
| Optical Rotation |
[a]D26 = +16.4 (c = 0.25, CHCl3) |
| Quality |
83 |
| SMILES |
C(C)OC(C[C@](C(F)(F)F)(C1=CC=C(C=C1)F)[H])=O |
| SPLASH |
splash10-00fr-0910000000-57914cfeb6c273e56c06 |
| Source of Spectrum |
QE-28-SM34-9b (DOI: 10.1002/chem.202202059) |
| Wiley ID |
1900724 |
