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4,5-DIBENZYL-2-(2,2,2-TRIFLUOROETHYLIDENE)-6-TRIFLUOROMETHYL-2,3-DIHYDRO-4H-1,4-OXAZIN-3-ONE
SpectraBase Compound ID 2hlArTAwkUP
InChI InChI=1S/C21H15F6NO2/c22-20(23,24)12-17-19(29)28(13-15-9-5-2-6-10-15)16(18(30-17)21(25,26)27)11-14-7-3-1-4-8-14/h1-10,12H,11,13H2/b17-12-
InChIKey CMSCALGLOTUIJG-ATVHPVEESA-N
Mol Weight 427.35 g/mol
Molecular Formula C21H15F6NO2
Exact Mass 427.100698 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FTXj5ctMC1D
Name (2Z)-4,5-bis(phenylmethyl)-2-(2,2,2-trifluoroethylidene)-6-(trifluoromethyl)-1,4-oxazin-3-one
Comments Less than 3 mono-isotopic peaks
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Formula C21H15F6NO2
InChI InChI=1S/C21H15F6NO2/c22-20(23,24)12-17-19(29)28(13-15-9-5-2-6-10-15)16(18(30-17)21(25,26)27)11-14-7-3-1-4-8-14/h1-10,12H,11,13H2/b17-12-
InChIKey CMSCALGLOTUIJG-ATVHPVEESA-N
Molecular Weight 427.346 g/mol
SMILES C1(=C(N(Cc2ccccc2)C(\C(O1)=C\C(F)(F)F)=O)Cc1ccccc1)C(F)(F)F
SPLASH splash10-0006-9000100000-3e903dd4b0aa843d89a2
Source of Spectrum H1-45-2189-2
Synonyms (2Z)-4,5-bis(phenylmethyl)-6-(trifluoromethyl)-2-[2,2,2-tris(fluoranyl)ethylidene]-1,4-oxazin-3-one (2Z)-4,5-dibenzyl-2-(2,2,2-trifluoroethylidene)-6-(trifluoromethyl)-1,4-oxazin-3-one
Wiley ID 815913