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1,4-Dihydro-1,4-dioxo.alpha.-[(phenylthio)-methylene]-3-(1-pyrrolidinyl)-2-naphthalene-acetonitrile
SpectraBase Compound ID 81JVcbQzZZu
InChI InChI=1S/C23H18N2O2S/c24-14-16(15-28-17-8-2-1-3-9-17)20-21(25-12-6-7-13-25)23(27)19-11-5-4-10-18(19)22(20)26/h1-5,8-11,15H,6-7,12-13H2/b16-15+
InChIKey VLNINSWALMDFMF-FOCLMDBBSA-N
Mol Weight 386.47 g/mol
Molecular Formula C23H18N2O2S
Exact Mass 386.108899 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2mdJoqEvsAy
Name 1,4-DIHYDRO-1,4-DIOXO-ALPHA-[(PHENYLTHIO)-METHYLENE]-3-(1-PYRROLIDINYL)-2-NAPHTHALENE-ACETONITRILE
Compound Number 33
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H18N2O2S
InChI InChI=1S/C23H18N2O2S/c24-14-16(15-28-17-8-2-1-3-9-17)20-21(25-12-6-7-13-25)23(27)19-11-5-4-10-18(19)22(20)26/h1-5,8-11,15H,6-7,12-13H2/b16-15+
InChIKey VLNINSWALMDFMF-FOCLMDBBSA-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 386.468 g/mol
Solvent CDCl3
Source File Reference UNIW20954