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3-(4'-Cyanophenoxy)-3-(4''-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane
SpectraBase Compound ID DMn6CgMOU8n
InChI InChI=1S/C21H21FN2O/c1-24-18-8-9-19(24)13-21(12-18,16-4-6-17(22)7-5-16)25-20-10-2-15(14-23)3-11-20/h2-7,10-11,18-19H,8-9,12-13H2,1H3/t18-,19+,21+
InChIKey VYWBQSPRDTZVQD-KXTWHKPSSA-N
Mol Weight 336.41 g/mol
Molecular Formula C21H21FN2O
Exact Mass 336.163791 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3I6tJdGbNpF
Name 3-(4'-Cyanophenoxy)-3-(4''-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane
Alternate Name(s) 3-(4'-Cyanophenoxy)-3-(4''-fluorophenyl)-8-methylazabicyclo[3.2.1]octane 4-((3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy)benzonitrile 4-[[3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzenecarbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21FN2O
InChI InChI=1S/C21H21FN2O/c1-24-18-8-9-19(24)13-21(12-18,16-4-6-17(22)7-5-16)25-20-10-2-15(14-23)3-11-20/h2-7,10-11,18-19H,8-9,12-13H2,1H3/t18-,19+,21+
InChIKey VYWBQSPRDTZVQD-KXTWHKPSSA-N
Molecular Weight 336.410 g/mol
SMILES [C@]1(C[C@@]2(N(C)[C@](C1)(CC2)[H])[H])(Oc1ccc(C#N)cc1)c1ccc(cc1)F
SPLASH splash10-014i-2090000000-63ce75f4bae51a5919c7
Source of Spectrum J-15-7770-14g
Wiley ID 1733883