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4,4''-BIS-{N-[5',5'-(ETHYLENEDIOXY)-HEXYL-1,4,5,6-TETRAHYDRONICOTINONITRILE}

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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 EO7AtafuXhQ
Name 4(1-(5-Ketohexyl-ethylene-ketal)-1,4,5,6-tetrahydro-nicotinonitrile) dimer
CAS Registry Number 50866-57-4
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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
Instrument Name Varian DP-60
Literature Reference E. Wenkert, B. Chauncy, H.P. Schenk, J. Am. Chem. Soc. 95, 8427 (1973).
NMR Standard CHCl3
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CHCl3