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2-Aza-bicyclo(2.2.2)octan-3-one

View entire compound with spectra: 11 NMR, and 1 MS (GC)

2-Aza-bicyclo(2.2.2)octan-3-one
SpectraBase Compound ID A8ShfjZFng0
InChI InChI=1S/C7H11NO/c9-7-5-1-3-6(8-7)4-2-5/h5-6H,1-4H2,(H,8,9)/t5-,6+
InChIKey CZVSOFLNEUYJRJ-OLQVQODUSA-N
Mol Weight 125.17 g/mol
Molecular Formula C7H11NO
Exact Mass 125.084064 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AMrVRlyxObo
Name 2-Azabicyclo[2.2.2]octan-3-one
CAS Registry Number 3306-69-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H11NO
InChI InChI=1S/C7H11NO/c9-7-5-1-3-6(8-7)4-2-5/h5-6H,1-4H2,(H,8,9)/t5-,6+
InChIKey CZVSOFLNEUYJRJ-OLQVQODUSA-N
Molecular Weight 125.171 g/mol
SMILES N1C([C@@]2(CC[C@]1(CC2)[H])[H])=O
SPLASH splash10-014i-9100000000-062c88d06319144c875f
Source of Spectrum J-40-1046-0
Synonyms 3-Azabicyclo[2.2.2]octan-2-one 3-Isoquinuclidone 4-Aminocyclohexanecarboxylic acid lactam Cyclohexanecarboxylic acid, 4-amino-, lactam Isonortropinone
Wiley ID 1129417