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2-AZABARRELENONE;2-AZABICYCLO-[2.2.2]-OCTA-5,7-DIEN-3-ONE
SpectraBase Compound ID AiwOlYeNKR3
InChI InChI=1S/C7H7NO/c9-7-5-1-3-6(8-7)4-2-5/h1-6H,(H,8,9)/t5-,6+
InChIKey LAYSTMYHYGRCNS-OLQVQODUSA-N
Mol Weight 121.14 g/mol
Molecular Formula C7H7NO
Exact Mass 121.052764 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7aIXxEgfNgZ
Name 2-AZABARRELENONE;2-AZABICYCLO-[2.2.2]-OCTA-5,7-DIEN-3-ONE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H7NO
InChI InChI=1S/C7H7NO/c9-7-5-1-3-6(8-7)4-2-5/h1-6H,(H,8,9)/t5-,6+
InChIKey LAYSTMYHYGRCNS-OLQVQODUSA-N
Literature Reference Author R.GOMPPER,A.SCHMIDT
Literature Reference Citation ANGEW.CHEM.,92,468(1980)
Literature Reference DOI 10.1002/ange.19800920611
Molecular Weight 121.139 g/mol
Solvent CDCl3
Source File Reference UWCS10017