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4H-1,2,4-Triazole-3-carboxamide, 4-(4-chlorophenyl)-N-(4-methoxyphenyl)-N-(2-oxo-1,2-diphenylethyl)-5-phenyl-

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4H-1,2,4-Triazole-3-carboxamide, 4-(4-chlorophenyl)-N-(4-methoxyphenyl)-N-(2-oxo-1,2-diphenylethyl)-5-phenyl-
SpectraBase Compound ID EUA3NiVf0vQ
InChI InChI=1S/C36H27ClN4O3/c1-44-31-23-21-29(22-24-31)40(32(25-11-5-2-6-12-25)33(42)26-13-7-3-8-14-26)36(43)35-39-38-34(27-15-9-4-10-16-27)41(35)30-19-17-28(37)18-20-30/h2-24,32H,1H3
InChIKey YHOWYEDEPIMBET-UHFFFAOYSA-N
Mol Weight 599.1 g/mol
Molecular Formula C36H27ClN4O3
Exact Mass 598.177168 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9fKwJQKGO3j
Name 4H-1,2,4-Triazole-3-carboxamide, 4-(4-chlorophenyl)-N-(4-methoxyphenyl)-N-(2-oxo-1,2-diphenylethyl)-5-phenyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 598.177168442 u
Formula C36H27ClN4O3
InChI InChI=1S/C36H27ClN4O3/c1-44-31-23-21-29(22-24-31)40(32(25-11-5-2-6-12-25)33(42)26-13-7-3-8-14-26)36(43)35-39-38-34(27-15-9-4-10-16-27)41(35)30-19-17-28(37)18-20-30/h2-24,32H,1H3
InChIKey YHOWYEDEPIMBET-UHFFFAOYSA-N
Molecular Weight 599.090 g/mol
SMILES C1(=NN=C(N1C1=CC=C(Cl)C=C1)C(N(C(C(=O)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=C(OC)C=C1)=O)C1=CC=CC=C1