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3,6-BIS-(5-METHYLHEXYL)-PHTHALONITRILE
SpectraBase Compound ID L4cszFXmloZ
InChI InChI=1S/C22H32N2/c1-17(2)9-5-7-11-19-13-14-20(12-8-6-10-18(3)4)22(16-24)21(19)15-23/h13-14,17-18H,5-12H2,1-4H3
InChIKey OIXAKXNRORFTAP-UHFFFAOYSA-N
Mol Weight 324.5 g/mol
Molecular Formula C22H32N2
Exact Mass 324.256549 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4KOEyIPOXpJ
Name 3,6-BIS-(5-METHYLHEXYL)-PHTHALONITRILE
Compound Number 6C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H32N2
InChI InChI=1S/C22H32N2/c1-17(2)9-5-7-11-19-13-14-20(12-8-6-10-18(3)4)22(16-24)21(19)15-23/h13-14,17-18H,5-12H2,1-4H3
InChIKey OIXAKXNRORFTAP-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 324.509 g/mol
Solvent CDCl3
Source File Reference UWIR10117