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3,3,4,4,5,5,6,6,6-Nonafluoro-1-(2-(trifluoromethyl)phenyl)hexan-1-on
SpectraBase Compound ID 5vfncS9ESJg
InChI InChI=1S/C13H6F12O/c14-9(15,11(19,20)12(21,22)13(23,24)25)5-8(26)6-3-1-2-4-7(6)10(16,17)18/h1-4H,5H2
InChIKey KJJKULNBWODIOR-UHFFFAOYSA-N
Mol Weight 406.17 g/mol
Molecular Formula C13H6F12O
Exact Mass 406.022703 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4ibixxenYjN
Name 3,3,4,4,5,5,6,6,6-Nonafluoro-1-(2-(trifluoromethyl)phenyl)hexan-1-on
Appearance Yellow liquid
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Exact Mass 406.022702768 u
Formula C13H6F12O
InChI InChI=1S/C13H6F12O/c14-9(15,11(19,20)12(21,22)13(23,24)25)5-8(26)6-3-1-2-4-7(6)10(16,17)18/h1-4H,5H2
InChIKey KJJKULNBWODIOR-UHFFFAOYSA-N
Instrument Name FINNIGAN SSQ or 7000 Thermo Deca XP
Ionization Type EI
Literature Reference DOI 10.1002/chem.202201830
Molecular Weight 406.171 g/mol
Quality 468
Reported Formula C13H6OF12
SMILES C1=CC(=C(C=C1)C(F)(F)F)C(=O)CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
SPLASH splash10-0il0-9520000000-7adbce35b34ba50d0fb3
Source of Spectrum QE-28-SM16-11 (DOI: 10.1002/chem.202201830)
Wiley ID 1900622