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3-METHYL-10-OXO-2-OXA-6-AZATRICYCLO-[5.3.2.0(1,5)]-DODECA-3,5,8,11-TETRAEN-4-CARBONITRILE
SpectraBase Compound ID 1wKTS95MSwz
InChI InChI=1S/C12H8N2O2/c1-7-9(6-13)11-12(16-7)5-4-8(14-11)2-3-10(12)15/h2-5,8H,1H3
InChIKey JRQHHFOAJFPTOD-UHFFFAOYSA-N
Mol Weight 212.21 g/mol
Molecular Formula C12H8N2O2
Exact Mass 212.058578 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2oIQnROOwoE
Name 3-METHYL-10-OXO-2-OXA-6-AZATRICYCLO-[5.3.2.0(1,5)]-DODECA-3,5,8,11-TETRAEN-4-CARBONITRILE
CAS Registry Number 107129-21-5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H8N2O2
InChI InChI=1S/C12H8N2O2/c1-7-9(6-13)11-12(16-7)5-4-8(14-11)2-3-10(12)15/h2-5,8H,1H3
InChIKey JRQHHFOAJFPTOD-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 212.208 g/mol
Solvent CDCl3
Source File Reference UWGB1522