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1,1'-(5-Methyl-1-(4-methylphenyl)-1H-pyrazole-3,4-diyl)-bis-(3-(2,4-dichlorophenyl)prop-2-en-1-one)

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1,1'-(5-Methyl-1-(4-methylphenyl)-1H-pyrazole-3,4-diyl)-bis-(3-(2,4-dichlorophenyl)prop-2-en-1-one)
SpectraBase Compound ID GoAbHTpFxGI
InChI InChI=1S/C29H20Cl4N2O2/c1-17-3-11-23(12-4-17)35-18(2)28(26(36)13-7-19-5-9-21(30)15-24(19)32)29(34-35)27(37)14-8-20-6-10-22(31)16-25(20)33/h3-16H,1-2H3/b13-7+,14-8+
InChIKey UDPSPUHTSKYLLL-FNCQTZNRSA-N
Mol Weight 570.3 g/mol
Molecular Formula C29H20Cl4N2O2
Exact Mass 568.027889 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3Ao4qPXTuFG
Name 1,1'-(5-Methyl-1-(4-methylphenyl)-1H-pyrazole-3,4-diyl)-bis-(3-(2,4-dichlorophenyl)prop-2-en-1-one)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 568.027888690 u
Formula C29H20Cl4N2O2
InChI InChI=1S/C29H20Cl4N2O2/c1-17-3-11-23(12-4-17)35-18(2)28(26(36)13-7-19-5-9-21(30)15-24(19)32)29(34-35)27(37)14-8-20-6-10-22(31)16-25(20)33/h3-16H,1-2H3/b13-7+,14-8+
InChIKey UDPSPUHTSKYLLL-FNCQTZNRSA-N
Molecular Weight 570.303 g/mol
SMILES C1(=NN(C(=C1C(\C=C\C1=C(C=C(C=C1)Cl)Cl)=O)C)C1=CC=C(C=C1)C)C(=O)\C=C\C1=CC=C(C=C1Cl)Cl