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3,3,3-trifluoro-1-(4-(trifluoromethyl)phenyl)propan-1-one
SpectraBase Compound ID ILPKvBBtPUD
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
Mol Weight 256.15 g/mol
Molecular Formula C10H6F6O
Exact Mass 256.032284 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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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