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1,3-DIOCTYL-5-[(E)-2-(4-PYRIDINYL)-ETHENYL]-URACIL
SpectraBase Compound ID F5ObNhqSsnG
InChI InChI=1S/C27H41N3O2/c1-3-5-7-9-11-13-21-29-23-25(16-15-24-17-19-28-20-18-24)26(31)30(27(29)32)22-14-12-10-8-6-4-2/h15-20,23H,3-14,21-22H2,1-2H3/b16-15+
InChIKey JOWNXDAPCGDHRM-FOCLMDBBSA-N
Mol Weight 439.6 g/mol
Molecular Formula C27H41N3O2
Exact Mass 439.319878 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 24CP0NsIsc2
Name 1,3-DIOCTYL-5-[(E)-2-(4-PYRIDINYL)-ETHENYL]-URACIL
Compound Number 10D-(E)
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H41N3O2
InChI InChI=1S/C27H41N3O2/c1-3-5-7-9-11-13-21-29-23-25(16-15-24-17-19-28-20-18-24)26(31)30(27(29)32)22-14-12-10-8-6-4-2/h15-20,23H,3-14,21-22H2,1-2H3/b16-15+
InChIKey JOWNXDAPCGDHRM-FOCLMDBBSA-N
Literature Reference Author E.COUTOULI-ARGYROPOULOU,C.ZACHARIADOU
Literature Reference Citation J.HETCYCL.CHEM.,42,1135(2005)
Literature Reference DOI 10.1002/jhet.5570420615
Molecular Weight 439.641 g/mol
Sample ID 42226
Solvent CDCl3