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2-Azabicyclo[2.2.2]octan-3-one, 5-hydroxy-2-(phenylmethyl)-, (1.alpha.,4.alpha.,5.alpha.)-(.+-.)-
SpectraBase Compound ID 1Kku8ShYNhf
InChI InChI=1S/C14H17NO2/c16-13-8-11-6-7-12(13)14(17)15(11)9-10-4-2-1-3-5-10/h1-5,11-13,16H,6-9H2/t11-,12+,13+/m0/s1
InChIKey RSHVGTWAFZKBQV-YNEHKIRRSA-N
Mol Weight 231.29 g/mol
Molecular Formula C14H17NO2
Exact Mass 231.125929 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2hiqisoKcNB
Name 2-Azabicyclo[2.2.2]octan-3-one, 5-hydroxy-2-(phenylmethyl)-, (1.alpha.,4.alpha.,5.alpha.)-(.+-.)-
CAS Registry Number 89826-12-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H17NO2
InChI InChI=1S/C14H17NO2/c16-13-8-11-6-7-12(13)14(17)15(11)9-10-4-2-1-3-5-10/h1-5,11-13,16H,6-9H2/t11-,12+,13+/m0/s1
InChIKey RSHVGTWAFZKBQV-YNEHKIRRSA-N
Molecular Weight 231.295 g/mol
SMILES O[C@]1([C@@]2(C(N([C@@]([H])(CC2)C1)Cc1ccccc1)=O)[H])[H]
SPLASH splash10-000x-9350000000-04a09c6cc18e836dc701
Source of Spectrum F-40-365-0
Synonyms (1S,4R,5R)-2-benzyl-5-hydroxy-2-azabicyclo[2.2.2]octan-3-one N-Benzyl-5-hydroxy-2-azabicyclo[2.2.2]octan-3-one
Wiley ID 1232881