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[(7-OXO-1,3,5-CYCLOHEPTATRIEN-1-YLOXY)-METHYLENE]-PROPANEDINITRILE
SpectraBase Compound ID B4JXNwNruO3
InChI InChI=1S/C11H6N2O2/c12-6-9(7-13)8-15-11-5-3-1-2-4-10(11)14/h1-5,8H
InChIKey PTRBOZOXKAWTCA-UHFFFAOYSA-N
Mol Weight 198.18 g/mol
Molecular Formula C11H6N2O2
Exact Mass 198.042927 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DTFOzaroEmc
Name [(7-OXO-1,3,5-CYCLOHEPTATRIEN-1-YLOXY)-METHYLENE]-PROPANEDINITRILE
CAS Registry Number 107129-11-3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H6N2O2
InChI InChI=1S/C11H6N2O2/c12-6-9(7-13)8-15-11-5-3-1-2-4-10(11)14/h1-5,8H
InChIKey PTRBOZOXKAWTCA-UHFFFAOYSA-N
Literature Reference Author K.HARTKE,W.F.RICHTER,W.MASSA,G.BAUM
Literature Reference Citation CHEM.BER.,122,657(1989)
Literature Reference DOI 10.1002/cber.19891220412
Molecular Weight 198.181 g/mol
Solvent CDCl3
Source File Reference UWGB1513