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2-Azabicyclo[2.1.1]hexane-1-carboxylic acid, 3-oxo-, methyl ester
SpectraBase Compound ID DcSzadf3zXR
InChI InChI=1S/C7H9NO3/c1-11-6(10)7-2-4(3-7)5(9)8-7/h4H,2-3H2,1H3,(H,8,9)
InChIKey CCRHBUGQSJDWFY-UHFFFAOYSA-N
Mol Weight 155.15 g/mol
Molecular Formula C7H9NO3
Exact Mass 155.058243 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6CgTRz17n6D
Name 2-Azabicyclo[2.1.1]hexane-1-carboxylic acid, 3-oxo-, methyl ester
CAS Registry Number 116129-05-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H9NO3
InChI InChI=1S/C7H9NO3/c1-11-6(10)7-2-4(3-7)5(9)8-7/h4H,2-3H2,1H3,(H,8,9)
InChIKey CCRHBUGQSJDWFY-UHFFFAOYSA-N
Molecular Weight 155.153 g/mol
SMILES N1C(C2CC1(C(=O)OC)C2)=O
SPLASH splash10-014i-9300000000-3ecb66a578dca2295e33
Source of Spectrum J-53-4796-14
Synonyms 2-keto-3-azabicyclo[2.1.1]hexane-4-carboxylic acid methyl ester 2-Oxo-3-azabicyclo[2.1.1]hexane-4-carboxylic acid methyl ester Methyl 2,4-methanopyroglutamate Methyl 2-oxidanylidene-3-azabicyclo[2.1.1]hexane-4-carboxylate Methyl 2-oxo-3-azabicyclo[2.1.1]hexane-4-carboxylate Methyl 3-oxo-2-azabicyclo[2.1.1]hexane-1-carboxylate
Wiley ID 1152669