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1-Azabicyclo[2.2.2]octane-2-carboxamide, 5-ethyl-N-(2-methylphenyl)-, (2.alpha.,4.alpha.,5.alpha.)-(.+-.)-
SpectraBase Compound ID D7Yt9p89d8j
InChI InChI=1S/C17H24N2O/c1-3-13-11-19-9-8-14(13)10-16(19)17(20)18-15-7-5-4-6-12(15)2/h4-7,13-14,16H,3,8-11H2,1-2H3,(H,18,20)/t13-,14+,16-/m1/s1
InChIKey DBEOTZCFNJPYEW-IJEWVQPXSA-N
Mol Weight 272.39 g/mol
Molecular Formula C17H24N2O
Exact Mass 272.188863 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HCxdAcNEvr6
Name 1-Azabicyclo[2.2.2]octane-2-carboxamide, 5-ethyl-N-(2-methylphenyl)-, (2.alpha.,4.alpha.,5.alpha.)-(.+-.)-
CAS Registry Number 75364-49-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H24N2O
InChI InChI=1S/C17H24N2O/c1-3-13-11-19-9-8-14(13)10-16(19)17(20)18-15-7-5-4-6-12(15)2/h4-7,13-14,16H,3,8-11H2,1-2H3,(H,18,20)/t13-,14+,16-/m1/s1
InChIKey DBEOTZCFNJPYEW-IJEWVQPXSA-N
Molecular Weight 272.392 g/mol
SMILES N(C([C@@]1(N2C[C@@](CC)([C@](CC2)([H])C1)[H])[H])=O)c1c(C)cccc1
SPLASH splash10-0229-4890000000-51fff4f4180d6192125e
Source of Spectrum C-100-591-0
Synonyms (2R,4S,5S)-5-ethyl-N-(2-methylphenyl)-1-azabicyclo[2.2.2]octane-2-carboxamide 1-Azabicyclo[2.2.2]octane-2-carboxamide, 5-ethyl-N-(2-methylphenyl)-, (2.alpha.,4.alpha.,5.alpha.)-(.+/-.)- rac-5(R)-ethyl-N-(0-tolyl)-4(S)-quinuclidine-2(S)-carboxamide
Wiley ID 1276485