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(E)-[1-(PARA-TOLYL)-3-[(PARA-TOLYL)-AMINO]-4-CYANO-2-OXOPYRROL-5-YLIDENE]-CYANOACETIC-ACID-ETHYLESTER
SpectraBase Compound ID CaDotLH7YPq
InChI InChI=1S/C24H20N4O3/c1-4-31-24(30)20(14-26)22-19(13-25)21(27-17-9-5-15(2)6-10-17)23(29)28(22)18-11-7-16(3)8-12-18/h5-12,27H,4H2,1-3H3/b22-20+
InChIKey YWODCITWOUDZIP-LSDHQDQOSA-N
Mol Weight 412.45 g/mol
Molecular Formula C24H20N4O3
Exact Mass 412.153541 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3HKWv1c4M7
Name (E)-[1-(PARA-TOLYL)-3-[(PARA-TOLYL)-AMINO]-4-CYANO-2-OXOPYRROL-5-YLIDENE]-CYANOACETIC-ACID-ETHYLESTER
Compound Number 5D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H20N4O3
InChI InChI=1S/C24H20N4O3/c1-4-31-24(30)20(14-26)22-19(13-25)21(27-17-9-5-15(2)6-10-17)23(29)28(22)18-11-7-16(3)8-12-18/h5-12,27H,4H2,1-3H3/b22-20+
InChIKey YWODCITWOUDZIP-LSDHQDQOSA-N
Literature Reference Author J.WUCKELT,M.DOERING,P.LANGER,R.BECKERT,H.GOERLS
Literature Reference Citation J.ORG.CHEM.,64,365(1999)
Literature Reference DOI 10.1021/jo9805910
Molecular Weight 412.448 g/mol
Sample ID 39217
Solvent DMSO-D6