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3-[[4-keto-2-(trifluoromethyl)quinazolin-3-yl]amino]-2-(trifluoromethyl)quinazolin-4-one
SpectraBase Compound ID 6v3S2avppa7
InChI InChI=1S/C18H9F6N5O2/c19-17(20,21)15-25-11-7-3-1-5-9(11)13(30)28(15)27-29-14(31)10-6-2-4-8-12(10)26-16(29)18(22,23)24/h1-8,27H
InChIKey XDRFTXCMPHXTNH-UHFFFAOYSA-N
Mol Weight 441.29 g/mol
Molecular Formula C18H9F6N5O2
Exact Mass 441.066044 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CoPIgX9VQot
Name 3-[[4-keto-2-(trifluoromethyl)quinazolin-3-yl]amino]-2-(trifluoromethyl)quinazolin-4-one
Alternate Name(s) 3-[[4-oxidanylidene-2-(trifluoromethyl)quinazolin-3-yl]amino]-2-(trifluoromethyl)quinazolin-4-one 3-[[4-oxo-2-(trifluoromethyl)-3-quinazolinyl]amino]-2-(trifluoromethyl)-4-quinazolinone 3-[[4-oxo-2-(trifluoromethyl)quinazolin-3-yl]amino]-2-(trifluoromethyl)quinazolin-4-one
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Formula C18H9F6N5O2
InChI InChI=1S/C18H9F6N5O2/c19-17(20,21)15-25-11-7-3-1-5-9(11)13(30)28(15)27-29-14(31)10-6-2-4-8-12(10)26-16(29)18(22,23)24/h1-8,27H
InChIKey XDRFTXCMPHXTNH-UHFFFAOYSA-N
Molecular Weight 441.293 g/mol
SMILES N(N1C(=Nc2c(C1=O)cccc2)C(F)(F)F)N1C(=Nc2c(C1=O)cccc2)C(F)(F)F
SPLASH splash10-03dm-9750000000-e25983d95c3f15f82947
Source of Spectrum KC-0-163-14
Wiley ID 785005