SpectraBase Spectrum ID |
DJQKai71Ts |
Name |
3,3,3-trifluoro-1-(4-(trifluoromethyl)phenyl)propan-1-one |
Appearance |
White solid |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
256.032283790 u |
Formula |
C10H6F6O |
InChI |
InChI=1S/C10H6F6O/c11-9(12,13)5-8(17)6-1-3-7(4-2-6)10(14,15)16/h1-4H,5H2 |
InChIKey |
GPTXCRGPNCTJLO-UHFFFAOYSA-N |
Instrument Name |
Thermo Scientific AS 3000 Series GCMS |
Ionization Type |
EI |
Literature Reference DOI |
10.1021/acs.joc.2c02923 |
Molecular Weight |
256.147 g/mol |
Reported Formula |
C10H6F6O |
SMILES |
C(CC(=O)C1=CC=C(C=C1)C(F)(F)F)(F)(F)F |
SPLASH |
splash10-000i-0090000000-052b0597d6054cb5375b |
Source of Spectrum |
JOC-88-SM168-6h (DOI: 10.1021/acs.joc.2c02923) |
Wiley ID |
1912735 |