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2,5-bis-(3-trifluoromethylanilino)-1,4-benzoquinone
SpectraBase Compound ID 2MAzzUZOEc
InChI InChI=1S/C20H12F6N2O2/c21-19(22,23)11-3-1-5-13(7-11)27-15-9-18(30)16(10-17(15)29)28-14-6-2-4-12(8-14)20(24,25)26/h1-10,27-28H
InChIKey FMRKNTXAPVYAIF-UHFFFAOYSA-N
Mol Weight 426.32 g/mol
Molecular Formula C20H12F6N2O2
Exact Mass 426.080297 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HPtZtPIO6gq
Name 2,5-bis-(3-trifluoromethylanilino)-1,4-benzoquinone
Appearance Light brown crystals
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Formula C20H12F6N2O2
InChI InChI=1S/C20H12F6N2O2/c21-19(22,23)11-3-1-5-13(7-11)27-15-9-18(30)16(10-17(15)29)28-14-6-2-4-12(8-14)20(24,25)26/h1-10,27-28H
InChIKey FMRKNTXAPVYAIF-UHFFFAOYSA-N
Instrument Name Finnigan-Trace GC 2000
Ionization Type EI
Molecular Weight 426.318 g/mol
SMILES N(c1cccc(C(F)(F)F)c1)C=1C(C=C(C(C1)=O)Nc1cc(C(F)(F)F)ccc1)=O
SPLASH splash10-0zfs-0940000000-926de1fed8432d3e2e4d
Source of Spectrum US20170283366A1
Wiley ID 1866115