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1-{2-[Methyl(trifluoromethyl)amino]pyridin-5-yl}-trans-4-(4-propylcyclohexyl)cyclohexene
SpectraBase Compound ID FbcbS21Jf0c
InChI InChI=1S/C22H31F3N2/c1-3-4-16-5-7-17(8-6-16)18-9-11-19(12-10-18)20-13-14-21(26-15-20)27(2)22(23,24)25/h11,13-18H,3-10,12H2,1-2H3/t16-,17-,18?
InChIKey NHOLNYJOTLXIBU-JHJOSGQCSA-N
Mol Weight 380.5 g/mol
Molecular Formula C22H31F3N2
Exact Mass 380.243933 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DZUG4LAI1RS
Name 1-{2-[Methyl(trifluoromethyl)amino]pyridin-5-yl}-trans-4-(4-propylcyclohexyl)cyclohexene
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Formula C22H31F3N2
InChI InChI=1S/C22H31F3N2/c1-3-4-16-5-7-17(8-6-16)18-9-11-19(12-10-18)20-13-14-21(26-15-20)27(2)22(23,24)25/h11,13-18H,3-10,12H2,1-2H3/t16-,17-,18?
InChIKey NHOLNYJOTLXIBU-JHJOSGQCSA-N
Molecular Weight 380.499 g/mol
SMILES C(N(c1ncc(C2=CCC(CC2)[C@]2(CC[C@@](CC2)(CCC)[H])[H])cc1)C)(F)(F)F
SPLASH splash10-00lr-8932000000-939d4925cb00480184e6
Source of Spectrum AJ-72-2531-14
Synonyms 1-{2-[Methyl(trifluoromethyl)amino]pyridin-5-yl}-trans-4-(trans-4-propylcyclohexyl)cyclohexene N-methyl-5-[(4R)-4-(4-propylcyclohexyl)-1-cyclohexen-1-yl]-N-(trifluoromethyl)-2-pyridinamine N-methyl-N-{5-[(4R)-4-(4-propylcyclohexyl)-1-cyclohexen-1-yl]-2-pyridinyl}-N-(trifluoromethyl)amine
Wiley ID 775199