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(E,Z)-2,5-Dimethoxy.alpha.-(phenylmethylene-3,6-di-(1-piperidinyl)-benzeneacetonitrile
SpectraBase Compound ID LGaKc4xohg9
InChI InChI=1S/C27H33N3O2/c1-31-24-19-23(29-14-8-4-9-15-29)27(32-2)25(26(24)30-16-10-5-11-17-30)22(20-28)18-21-12-6-3-7-13-21/h3,6-7,12-13,18-19H,4-5,8-11,14-17H2,1-2H3/b22-18+
InChIKey GDFWCODMDHWEKX-RELWKKBWSA-N
Mol Weight 431.6 g/mol
Molecular Formula C27H33N3O2
Exact Mass 431.257277 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 27gdb9eOrvf
Name (E,Z)-2,5-DIMETHOXY-ALPHA-(PHENYLMETHYLENE-3,6-DI-(1-PIPERIDINYL)-BENZENEACETONITRILE
Compound Number 19
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H33N3O2
InChI InChI=1S/C27H33N3O2/c1-31-24-19-23(29-14-8-4-9-15-29)27(32-2)25(26(24)30-16-10-5-11-17-30)22(20-28)18-21-12-6-3-7-13-21/h3,6-7,12-13,18-19H,4-5,8-11,14-17H2,1-2H3/b22-18+
InChIKey GDFWCODMDHWEKX-RELWKKBWSA-N
Literature Reference Author E.O.M.ORLEMANS,B.H.M.LAMMERINK,F.C.J.M.VANVEGGEL,W.VERBOOM,S .HARKEMA,D.N.REINHOU
Literature Reference Citation J.ORG.CHEM.,53,2278(1988)
Literature Reference DOI 10.1021/jo00245a028
Molecular Weight 431.578 g/mol
Solvent CDCl3
Source File Reference UNIW20944