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1-Azabicyclo[2.2.2]octane-2-carboxylic acid, 5-ethyl-, ethyl ester, [1S-(1.alpha.,2.alpha.,4.alpha.,5.beta.)]-
SpectraBase Compound ID 3UZpdF5H4HD
InChI InChI=1S/C12H21NO2/c1-3-9-8-13-6-5-10(9)7-11(13)12(14)15-4-2/h9-11H,3-8H2,1-2H3/t9-,10-,11+/m0/s1
InChIKey GBJVJMRUGLIVNO-GARJFASQSA-N
Mol Weight 211.3 g/mol
Molecular Formula C12H21NO2
Exact Mass 211.157229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LeVxDYspO4
Name 1-Azabicyclo[2.2.2]octane-2-carboxylic acid, 5-ethyl-, ethyl ester, [1S-(1.alpha.,2.alpha.,4.alpha.,5.beta.)]-
Alternate Name(s) Ethyl (2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octane-2-carboxylate rac-ethyl 5(R)-ethyl-4(S)-quinuclidine-2(R)-carboxylate
CAS Registry Number 66140-85-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H21NO2
InChI InChI=1S/C12H21NO2/c1-3-9-8-13-6-5-10(9)7-11(13)12(14)15-4-2/h9-11H,3-8H2,1-2H3/t9-,10-,11+/m0/s1
InChIKey GBJVJMRUGLIVNO-GARJFASQSA-N
Molecular Weight 211.305 g/mol
SMILES [C@@]1(N2CC[C@](C1)([H])[C@](C2)(CC)[H])(C(=O)OCC)[H]
SPLASH splash10-01qi-2920000000-01fdc124d288940e8cbc
Source of Spectrum C-100-586-0
Wiley ID 1210452