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4,4''-BIS-{N-[5',5'-(ETHYLENEDIOXY)-HEXYL-1,4,5,6-TETRAHYDRONICOTINONITRILE}
SpectraBase Compound ID FQlSe5jkbRm
InChI InChI=1S/C28H42N4O4/c1-27(33-15-16-34-27)9-3-5-11-31-13-7-25(23(19-29)21-31)26-8-14-32(22-24(26)20-30)12-6-4-10-28(2)35-17-18-36-28/h21-22,25-26H,3-18H2,1-2H3
InChIKey CIKLXHCSMXPCDU-UHFFFAOYSA-N
Mol Weight 498.7 g/mol
Molecular Formula C28H42N4O4
Exact Mass 498.320606 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID An6FaBL4f5Z
Name 4,4''-BIS-{N-[5',5'-(ETHYLENEDIOXY)-HEXYL-1,4,5,6-TETRAHYDRONICOTINONITRILE}
Compound Number 33
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H42N4O4
InChI InChI=1S/C28H42N4O4/c1-27(33-15-16-34-27)9-3-5-11-31-13-7-25(23(19-29)21-31)26-8-14-32(22-24(26)20-30)12-6-4-10-28(2)35-17-18-36-28/h21-22,25-26H,3-18H2,1-2H3
InChIKey CIKLXHCSMXPCDU-UHFFFAOYSA-N
Literature Reference Author E.WENKERT,B.CHAUNCY,K.G.DAVE,A.R.JEFFCOAT,F.M.SCHELL,H.P.SCH ENK
Literature Reference Citation J.AM.CHEM.SOC.,95,8427(1973)
Literature Reference DOI 10.1021/ja00806a038
Molecular Weight 498.666 g/mol
Solvent CDCl3
Source File Reference UWRK2508