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methyl-3-(3,4,5,2'-tetrafluoro-terphenyl-4'-yl)-8-aza-bicyclo[3.2.1]octane
SpectraBase Compound ID IXDHscOL2ZD
InChI InChI=1S/C26H23F4N/c1-31-20-7-8-21(31)11-18(10-20)16-4-2-15(3-5-16)17-6-9-22(23(27)12-17)19-13-24(28)26(30)25(29)14-19/h2-6,9,12-14,18,20-21H,7-8,10-11H2,1H3
InChIKey HKLCTRRSNBZBNN-UHFFFAOYSA-N
Mol Weight 425.47 g/mol
Molecular Formula C26H23F4N
Exact Mass 425.176662 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5xo1fB48Cd3
Name methyl-3-(3,4,5,2'-tetrafluoro-terphenyl-4'-yl)-8-aza-bicyclo[3.2.1]octane
Appearance White crystals
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Formula C26H23F4N
InChI InChI=1S/C26H23F4N/c1-31-20-7-8-21(31)11-18(10-20)16-4-2-15(3-5-16)17-6-9-22(23(27)12-17)19-13-24(28)26(30)25(29)14-19/h2-6,9,12-14,18,20-21H,7-8,10-11H2,1H3
InChIKey HKLCTRRSNBZBNN-UHFFFAOYSA-N
Instrument Name Shimadzu QP2010SE
Ionization Type EI
Molecular Weight 425.471 g/mol
SMILES c1c(ccc(c1)-c1cc(c(cc1)-c1cc(c(c(c1)F)F)F)F)C1CC2CCC(C1)N2C
SPLASH splash10-004i-0000900000-c5d1593672c438aa8185
Source of Spectrum CN106543178A
Wiley ID 1853353