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2-Azabicyclo[2.2.2]octane-2,3-dicarboxylic acid, 5-oxo-, 3-methyl 2-(phenylmethyl) ester, (1.alpha.,3.alpha.,4.alpha.)-
SpectraBase Compound ID AR35J8iXuqN
InChI InChI=1S/C17H19NO5/c1-22-16(20)15-13-8-7-12(9-14(13)19)18(15)17(21)23-10-11-5-3-2-4-6-11/h2-6,12-13,15H,7-10H2,1H3/t12-,13+,15+/m0/s1
InChIKey MPIZLIIBTZWJAT-GZBFAFLISA-N
Mol Weight 317.34 g/mol
Molecular Formula C17H19NO5
Exact Mass 317.126323 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 85QxC7Ud5M8
Name 2-Azabicyclo[2.2.2]octane-2,3-dicarboxylic acid, 5-oxo-, 3-methyl 2-(phenylmethyl) ester, (1.alpha.,3.alpha.,4.alpha.)-
Alternate Name(s) 2-Benzyl 3-methyl (1S,3R,4S)-5-oxo-2-azabicyclo[2.2.2]octane-2,3-dicarboxylate Methyl 2-benzyloxycarbonyl-5-oxo-2-azabicyclo[2.2.2]octano-3-carboxylate
CAS Registry Number 65961-22-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H19NO5
InChI InChI=1S/C17H19NO5/c1-22-16(20)15-13-8-7-12(9-14(13)19)18(15)17(21)23-10-11-5-3-2-4-6-11/h2-6,12-13,15H,7-10H2,1H3/t12-,13+,15+/m0/s1
InChIKey MPIZLIIBTZWJAT-GZBFAFLISA-N
Molecular Weight 317.341 g/mol
SMILES [C@@]1(N([C@]2(CC[C@]1([H])C(C2)=O)[H])C(OCc1ccccc1)=O)(C(=O)OC)[H]
SPLASH splash10-0a4i-0970000000-73f50b4bae65a7c92ad9
Source of Spectrum KC-1977-2345-6
Wiley ID 1317660