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E-3-(1-H-1,2,4-TRIAZOL-1-YL)-3-PHENYL-1-(4-CHLOROPHENYL)-2-PROPEN-1-ONE;MAJOR_ISOMER
SpectraBase Compound ID DlMckEAvGNG
InChI InChI=1S/C17H12ClN3O/c18-15-8-6-14(7-9-15)17(22)10-16(21-12-19-11-20-21)13-4-2-1-3-5-13/h1-12H/b16-10+
InChIKey MXIKIYSMZSQCQH-MHWRWJLKSA-N
Mol Weight 309.76 g/mol
Molecular Formula C17H12ClN3O
Exact Mass 309.06689 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 75Rf7UgR1g9
Name E-3-(1-H-1,2,4-TRIAZOL-1-YL)-3-PHENYL-1-(4-CHLOROPHENYL)-2-PROPEN-1-ONE;MAJOR_ISOMER
Compound Number II-B-E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H12ClN3O
InChI InChI=1S/C17H12ClN3O/c18-15-8-6-14(7-9-15)17(22)10-16(21-12-19-11-20-21)13-4-2-1-3-5-13/h1-12H/b16-10+
InChIKey MXIKIYSMZSQCQH-MHWRWJLKSA-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 309.755 g/mol
Solvent DMSO-D6
Source File Reference UWMZ14271