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2-Azabicyclo[2.2.2]octane-2-carboxylic acid, 3-[(benzoyloxy)methyl]-5-oxo-, phenylmethyl ester, (1.alpha.,3.alpha.,4.alpha.)-

View entire compound with spectra: 1 MS (GC)

2-Azabicyclo[2.2.2]octane-2-carboxylic acid, 3-[(benzoyloxy)methyl]-5-oxo-, phenylmethyl ester, (1.alpha.,3.alpha.,4.alpha.)-
SpectraBase Compound ID 1zyYzbMsnMQ
InChI InChI=1S/C23H23NO5/c25-21-13-18-11-12-19(21)20(15-28-22(26)17-9-5-2-6-10-17)24(18)23(27)29-14-16-7-3-1-4-8-16/h1-10,18-20H,11-15H2/t18-,19-,20-/m0/s1
InChIKey AWZDTWQTTJWPRG-UFYCRDLUSA-N
Mol Weight 393.44 g/mol
Molecular Formula C23H23NO5
Exact Mass 393.157623 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6jHJCJDfXOu
Name 2-Azabicyclo[2.2.2]octane-2-carboxylic acid, 3-[(benzoyloxy)methyl]-5-oxo-, phenylmethyl ester, (1.alpha.,3.alpha.,4.alpha.)-
CAS Registry Number 65961-25-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H23NO5
InChI InChI=1S/C23H23NO5/c25-21-13-18-11-12-19(21)20(15-28-22(26)17-9-5-2-6-10-17)24(18)23(27)29-14-16-7-3-1-4-8-16/h1-10,18-20H,11-15H2/t18-,19-,20-/m0/s1
InChIKey AWZDTWQTTJWPRG-UFYCRDLUSA-N
Molecular Weight 393.439 g/mol
SMILES [C@@]1(N([C@]2(CC[C@]1([H])C(C2)=O)[H])C(OCc1ccccc1)=O)(COC(=O)c1ccccc1)[H]
SPLASH splash10-0ab9-0950000000-dcb8a49422002b8e3630
Source of Spectrum KC-1977-2346-0
Synonyms 2-Benzyloxycarbonyl-5-oxo-2-azabicyclo[2.2.2]octan-3-yl methyl benzoate benzyl (1S,3R,4S)-3-[(benzoyloxy)methyl]-5-oxo-2-azabicyclo[2.2.2]octane-2-carboxylate
Wiley ID 1366307