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3,6-BIS-(4-METHYLPENTYL)-PHTHALONITRILE
SpectraBase Compound ID 1t4EoqJfcAq
InChI InChI=1S/C20H28N2/c1-15(2)7-5-9-17-11-12-18(10-6-8-16(3)4)20(14-22)19(17)13-21/h11-12,15-16H,5-10H2,1-4H3
InChIKey ZQNMYFZAMLHNFU-UHFFFAOYSA-N
Mol Weight 296.46 g/mol
Molecular Formula C20H28N2
Exact Mass 296.225249 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EfH1iYlu0qG
Name 3,6-BIS-(4-METHYLPENTYL)-PHTHALONITRILE
Compound Number 6D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H28N2
InChI InChI=1S/C20H28N2/c1-15(2)7-5-9-17-11-12-18(10-6-8-16(3)4)20(14-22)19(17)13-21/h11-12,15-16H,5-10H2,1-4H3
InChIKey ZQNMYFZAMLHNFU-UHFFFAOYSA-N
Literature Reference Author D.J.TATE,R.ANEMIAN,R.J.BUSHBY,S.NANAN,S.L.WARRINER,B.J.WHITA KER
Literature Reference Citation BEIL.J.ORG.CHEM.,8,120(2012)
Literature Reference DOI 10.3762/bjoc.8.14
Molecular Weight 296.456 g/mol
Solvent CDCl3
Source File Reference UWIR10116