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3,6-Dioxo.alpha.-(phenylmethylene)-2,5-di-(1-pyrrolidinyl)-1,4-cyclohexadiene-1-acetonitrile
SpectraBase Compound ID E7m6KlVyNxu
InChI InChI=1S/C23H23N3O2/c24-16-18(14-17-8-2-1-3-9-17)21-22(26-12-6-7-13-26)20(27)15-19(23(21)28)25-10-4-5-11-25/h1-3,8-9,14-15H,4-7,10-13H2/b18-14+
InChIKey SZAVMRXFGPUNLS-NBVRZTHBSA-N
Mol Weight 373.46 g/mol
Molecular Formula C23H23N3O2
Exact Mass 373.179027 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6a2TSJ3ajhm
Name 3,6-DIOXO-ALPHA-(PHENYLMETHYLENE)-2,5-DI-(1-PYRROLIDINYL)-1,4-CYCLOHEXADIENE-1-ACETONITRILE
Compound Number 15
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H23N3O2
InChI InChI=1S/C23H23N3O2/c24-16-18(14-17-8-2-1-3-9-17)21-22(26-12-6-7-13-26)20(27)15-19(23(21)28)25-10-4-5-11-25/h1-3,8-9,14-15H,4-7,10-13H2/b18-14+
InChIKey SZAVMRXFGPUNLS-NBVRZTHBSA-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 373.455 g/mol
Solvent CDCl3
Source File Reference UNIW20943