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1-Azabicyclo[2.2.2]octane-2-carboxylic acid, 5-oxo-, methyl ester
SpectraBase Compound ID HcbqCqUkFgF
InChI InChI=1S/C9H13NO3/c1-13-9(12)7-4-6-2-3-10(7)5-8(6)11/h6-7H,2-5H2,1H3/t6-,7?/m1/s1
InChIKey SFFBOCFQHYNCOX-ULUSZKPHSA-N
Mol Weight 183.21 g/mol
Molecular Formula C9H13NO3
Exact Mass 183.089543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9M5MBKNZYWd
Name 1-Azabicyclo[2.2.2]octane-2-carboxylic acid, 5-oxo-, methyl ester
CAS Registry Number 30740-21-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H13NO3
InChI InChI=1S/C9H13NO3/c1-13-9(12)7-4-6-2-3-10(7)5-8(6)11/h6-7H,2-5H2,1H3/t6-,7?/m1/s1
InChIKey SFFBOCFQHYNCOX-ULUSZKPHSA-N
Molecular Weight 183.207 g/mol
SMILES C(OC)(=O)C1N2CC([C@@](C1)(CC2)[H])=O
SPLASH splash10-0006-9100000000-5ab4a487c7d935660e5f
Source of Spectrum O-3-1026-3
Synonyms 2-Quinuclidinecarboxylic acid, 5-oxo-, methyl ester 5-ketoquinuclidine-2-carboxylic acid methyl ester 5-Oxo-1-azabicyclo[2.2.2]octane-2-carboxylic acid methyl ester Methyl 5-oxidanylidene-1-azabicyclo[2.2.2]octane-2-carboxylate Methyl 5-oxo-1-azabicyclo[2.2.2]octane-2-carboxylate Methyl 5-oxoquinuclidine-2-carboxylate
Wiley ID 18982