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2-Amino-1-(2,6-difluorophenyl)-5-keto-4-[4-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2-Amino-1-(2,6-difluorophenyl)-5-keto-4-[4-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile
SpectraBase Compound ID 4IrMKOJUyUC
InChI InChI=1S/C23H16F5N3O/c24-15-3-1-4-16(25)21(15)31-17-5-2-6-18(32)20(17)19(14(11-29)22(31)30)12-7-9-13(10-8-12)23(26,27)28/h1,3-4,7-10,19H,2,5-6,30H2
InChIKey MVKCBXZINPKDPC-UHFFFAOYSA-N
Mol Weight 445.39 g/mol
Molecular Formula C23H16F5N3O
Exact Mass 445.121353 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JkhJXYhjQRE
Name 2-Amino-1-(2,6-difluorophenyl)-5-keto-4-[4-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Alternate Name(s) 2-Amino-1-(2,6-difluorophenyl)-5-oxo-4-[4-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile 2-Azanyl-1-[2,6-bis(fluoranyl)phenyl]-5-oxidanylidene-4-[4-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile
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Formula C23H16F5N3O
InChI InChI=1S/C23H16F5N3O/c24-15-3-1-4-16(25)21(15)31-17-5-2-6-18(32)20(17)19(14(11-29)22(31)30)12-7-9-13(10-8-12)23(26,27)28/h1,3-4,7-10,19H,2,5-6,30H2
InChIKey MVKCBXZINPKDPC-UHFFFAOYSA-N
Molecular Weight 445.393 g/mol
SMILES NC1=C(C#N)C(C2=C(N1c1c(F)cccc1F)CCCC2=O)c1ccc(C(F)(F)F)cc1
SPLASH splash10-0udi-3927100000-9be53cb15ac6a594a939
Wiley ID 1453782