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4-BENZYL-5-PHENYL-2-(2,2,2-TRIFLUOROETHYLIDENE)-6-TRIFLUOROMETHYL-2,3-DIHYDRO-4H-1,4-OXAZIN-3-ONE
SpectraBase Compound ID HLkQfaECISA
InChI InChI=1S/C20H13F6NO2/c21-19(22,23)11-15-18(28)27(12-13-7-3-1-4-8-13)16(14-9-5-2-6-10-14)17(29-15)20(24,25)26/h1-11H,12H2/b15-11-
InChIKey FNAQCYGINBIBRU-PTNGSMBKSA-N
Mol Weight 413.32 g/mol
Molecular Formula C20H13F6NO2
Exact Mass 413.085048 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AmacYcv2Ukb
Name (2Z)-4-benzyl-5-phenyl-2-(2,2,2-trifluoroethylidene)-6-(trifluoromethyl)-1,4-oxazin-3-one
Alternate Name(s) (2Z)-5-phenyl-4-(phenylmethyl)-2-(2,2,2-trifluoroethylidene)-6-(trifluoromethyl)-1,4-oxazin-3-one (2Z)-5-phenyl-4-(phenylmethyl)-6-(trifluoromethyl)-2-[2,2,2-tris(fluoranyl)ethylidene]-1,4-oxazin-3-one
Comments Less than 3 mono-isotopic peaks
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Formula C20H13F6NO2
InChI InChI=1S/C20H13F6NO2/c21-19(22,23)11-15-18(28)27(12-13-7-3-1-4-8-13)16(14-9-5-2-6-10-14)17(29-15)20(24,25)26/h1-11H,12H2/b15-11-
InChIKey FNAQCYGINBIBRU-PTNGSMBKSA-N
Molecular Weight 413.319 g/mol
SMILES C1(=C(N(Cc2ccccc2)C(\C(O1)=C\C(F)(F)F)=O)c1ccccc1)C(F)(F)F
SPLASH splash10-0006-9000400000-287d51f3f5eeefc67566
Source of Spectrum H1-45-2189-2
Wiley ID 815912