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2,4-DIAZABICYCLO-[4.2.0]-OCTA-1-(6),2-DIEN-5-ONE
SpectraBase Compound ID 6TZe2tskJyk
InChI InChI=1S/C6H6N2O/c9-6-4-1-2-5(4)7-3-8-6/h3H,1-2H2,(H,7,8,9)
InChIKey LCBMMFYQABQMRH-UHFFFAOYSA-N
Mol Weight 122.13 g/mol
Molecular Formula C6H6N2O
Exact Mass 122.048013 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5U8qhknIyTW
Name 2,4-DIAZABICYCLO-[4.2.0]-OCTA-1-(6),2-DIEN-5-ONE
Compound Number 3A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C6H6N2O
InChI InChI=1S/C6H6N2O/c9-6-4-1-2-5(4)7-3-8-6/h3H,1-2H2,(H,7,8,9)
InChIKey LCBMMFYQABQMRH-UHFFFAOYSA-N
Literature Reference Author M.W.NOETZEL,K.RAUCH,T.LABAHN,A.DEMEIJERE
Literature Reference Citation ORG.LETTERS,4,839(2002)
Literature Reference DOI 10.1021/ol025530+
Molecular Weight 122.126 g/mol
Solvent CDCl3
Source File Reference UWMZ25379