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(7-OXO-1,3,5-CYCLOHEPTATRIEN-1-YLOXY)-ETHENE-TRICARBONITRILE
SpectraBase Compound ID 2gg7ya1CIdS
InChI InChI=1S/C12H5N3O2/c13-6-9(7-14)12(8-15)17-11-5-3-1-2-4-10(11)16/h1-5H
InChIKey ZKKPURSAUIKXGO-UHFFFAOYSA-N
Mol Weight 223.19 g/mol
Molecular Formula C12H5N3O2
Exact Mass 223.038176 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID NIBBy79287
Name (7-OXO-1,3,5-CYCLOHEPTATRIEN-1-YLOXY)-ETHENE-TRICARBONITRILE
CAS Registry Number 107129-14-6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H5N3O2
InChI InChI=1S/C12H5N3O2/c13-6-9(7-14)12(8-15)17-11-5-3-1-2-4-10(11)16/h1-5H
InChIKey ZKKPURSAUIKXGO-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 223.191 g/mol
Solvent CDCl3
Source File Reference UWGB1514