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(E)-[1-(PARA-TOLYL)-3-[(PARA-TOLYL)-AMINO]-4-CYANO-2-OXOPYRROL-5-YLIDENE]-CYANOACETIC-ACID
SpectraBase Compound ID 2WIL1oYqe2v
InChI InChI=1S/C22H16N4O3/c1-13-3-7-15(8-4-13)25-19-17(11-23)20(18(12-24)22(28)29)26(21(19)27)16-9-5-14(2)6-10-16/h3-10,25H,1-2H3,(H,28,29)/b20-18+
InChIKey JOEMIBLWRUWJPY-CZIZESTLSA-N
Mol Weight 384.4 g/mol
Molecular Formula C22H16N4O3
Exact Mass 384.12224 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8jIpuF0w8yw
Name (E)-[1-(PARA-TOLYL)-3-[(PARA-TOLYL)-AMINO]-4-CYANO-2-OXOPYRROL-5-YLIDENE]-CYANOACETIC-ACID
Compound Number 6B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H16N4O3
InChI InChI=1S/C22H16N4O3/c1-13-3-7-15(8-4-13)25-19-17(11-23)20(18(12-24)22(28)29)26(21(19)27)16-9-5-14(2)6-10-16/h3-10,25H,1-2H3,(H,28,29)/b20-18+
InChIKey JOEMIBLWRUWJPY-CZIZESTLSA-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 384.394 g/mol
Sample ID 39221
Solvent DMF-D7