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(E)-1-(1H-1,2,4-Triazol-1-yl)-1-(4-ethoxyphenylamino)-2-nitro-3,4,4-trichlorobuta-1,3-diene
SpectraBase Compound ID LYc7iNkWseS
InChI InChI=1S/C14H12Cl3N5O3/c1-2-25-10-5-3-9(4-6-10)20-14(21-8-18-7-19-21)12(22(23)24)11(15)13(16)17/h3-8,20H,2H2,1H3/b14-12+
InChIKey JXBBURDQMAXCGB-WYMLVPIESA-N
Mol Weight 404.64 g/mol
Molecular Formula C14H12Cl3N5O3
Exact Mass 403.000572 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JUTFK2HpNuE
Name (E)-1-(1H-1,2,4-TRIAZOL-1-YL)-1-(4-ETHOXYPHENYLAMINO)-2-NITRO-3,4,4-TRICHLOROBUTA-1,3-DIENE
Compound Number 15
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H12Cl3N5O3
InChI InChI=1S/C14H12Cl3N5O3/c1-2-25-10-5-3-9(4-6-10)20-14(21-8-18-7-19-21)12(22(23)24)11(15)13(16)17/h3-8,20H,2H2,1H3/b14-12+
InChIKey JXBBURDQMAXCGB-WYMLVPIESA-N
Literature Reference Author V.A.ZAPOLSKII,J.C.NAMYSLO,A.D.MEIJERE,D.E.KAUFMANN
Literature Reference Citation BEIL.J.ORG.CHEM.,8,621(2012)
Literature Reference DOI 10.3762/bjoc.8.69
Molecular Weight 404.640 g/mol
Solvent CDCl3
Source File Reference UWIR10455