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E-3-(4-NITROPHENYL)-3-(1-H-1,2,4-TRIAZOL-1-YL)-1-(4-CHLOROPHENYL)-2-PROPEN-1-ONE;MAJOR_ISOMER
SpectraBase Compound ID IWaIzADtqn0
InChI InChI=1S/C17H11ClN4O3/c18-14-5-1-13(2-6-14)17(23)9-16(21-11-19-10-20-21)12-3-7-15(8-4-12)22(24)25/h1-11H/b16-9+
InChIKey XWBUSVZNYHTWJB-CXUHLZMHSA-N
Mol Weight 354.75 g/mol
Molecular Formula C17H11ClN4O3
Exact Mass 354.051968 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H66FsOuVCxM
Name E-3-(4-NITROPHENYL)-3-(1-H-1,2,4-TRIAZOL-1-YL)-1-(4-CHLOROPHENYL)-2-PROPEN-1-ONE;MAJOR_ISOMER
Compound Number II-G-E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H11ClN4O3
InChI InChI=1S/C17H11ClN4O3/c18-14-5-1-13(2-6-14)17(23)9-16(21-11-19-10-20-21)12-3-7-15(8-4-12)22(24)25/h1-11H/b16-9+
InChIKey XWBUSVZNYHTWJB-CXUHLZMHSA-N
Literature Reference Author M.A.REKHTER,G.N.GRUSHETSKAYA,A.A.PANASENKO,M.Z.KRIMER
Literature Reference Citation CHEM.HET.COMP.,31,792(1995)
Literature Reference DOI 10.1007/bf01170738
Molecular Weight 354.752 g/mol
Solvent DMSO-D6
Source File Reference UWMZ14276