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2-Amino-4,4-bis-trifluoromethyl-1-(4-trifluoromethyl-phenyl)-1,4,6,7,8,9,10,10a-octahydro-cycloocta[b]pyridine-3-carbonitrile

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

2-Amino-4,4-bis-trifluoromethyl-1-(4-trifluoromethyl-phenyl)-1,4,6,7,8,9,10,10a-octahydro-cycloocta[b]pyridine-3-carbonitrile
SpectraBase Compound ID AnaUF4dbHAJ
InChI InChI=1S/C21H18F9N3/c22-19(23,24)12-7-9-13(10-8-12)33-16-6-4-2-1-3-5-14(16)18(20(25,26)27,21(28,29)30)15(11-31)17(33)32/h5,7-10,16H,1-4,6,32H2/b14-5+
InChIKey IIYWTPZKBXVOHR-LHHJGKSTSA-N
Mol Weight 483.38 g/mol
Molecular Formula C21H18F9N3
Exact Mass 483.135701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DEE7epse79n
Name 2-Amino-4,4-bis-trifluoromethyl-1-(4-trifluoromethyl-phenyl)-1,4,6,7,8,9,10,10a-octahydro-cycloocta[b]pyridine-3-carbonitrile
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Formula C21H18F9N3
InChI InChI=1S/C21H18F9N3/c22-19(23,24)12-7-9-13(10-8-12)33-16-6-4-2-1-3-5-14(16)18(20(25,26)27,21(28,29)30)15(11-31)17(33)32/h5,7-10,16H,1-4,6,32H2/b14-5+
InChIKey IIYWTPZKBXVOHR-LHHJGKSTSA-N
Molecular Weight 483.382 g/mol
SMILES NC1=C(C(\C=2C(N1c1ccc(C(F)(F)F)cc1)CCCCCC/2)(C(F)(F)F)C(F)(F)F)C#N
SPLASH splash10-03di-2555900000-3ef8e1a5b90c7cd7bae0
Synonyms (4aZ)-2-amino-4,4-bis(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]-6,7,8,9,10,10a-hexahydrocycloocta[b]pyridine-3-carbonitrile (4aZ)-2-azanyl-4,4-bis(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]-6,7,8,9,10,10a-hexahydrocycloocta[b]pyridine-3-carbonitrile
Wiley ID 1462469