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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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HgxE8kcKqlu
Name 2-Aza-bicyclo(2.2.2)octan-3-one
CAS Registry Number 3306-69-2
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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
Instrument Name Bruker WH-90
Literature Reference C.F. Hammer, S. Chandrasegaran, J. Am. Chem. Soc. 106, 1543 (1984).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3