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1,4-Bis(4-chlorophenyl)-3-(1,1-dimethylethyl)-5-methyl-1H-pyrazole

View entire compound with spectra: 1 NMR, and 1 MS (GC)

1,4-Bis(4-chlorophenyl)-3-(1,1-dimethylethyl)-5-methyl-1H-pyrazole
SpectraBase Compound ID 4R2zYfsPoFX
InChI InChI=1S/C20H20Cl2N2/c1-13-18(14-5-7-15(21)8-6-14)19(20(2,3)4)23-24(13)17-11-9-16(22)10-12-17/h5-12H,1-4H3
InChIKey LSNXUAUQOAJGIL-UHFFFAOYSA-N
Mol Weight 359.3 g/mol
Molecular Formula C20H20Cl2N2
Exact Mass 358.100354 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K4CxSCAHu8z
Name 1,4-bis(4-Chlorophenyl)-3-(1,1-dimethylethyl)-5-methyl-1H-pyrazole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 358.100354052 u
Formula C20H20Cl2N2
InChI InChI=1S/C20H20Cl2N2/c1-13-18(14-5-7-15(21)8-6-14)19(20(2,3)4)23-24(13)17-11-9-16(22)10-12-17/h5-12H,1-4H3
InChIKey LSNXUAUQOAJGIL-UHFFFAOYSA-N
Molecular Weight 359.300 g/mol
SMILES C1(=NN(C(=C1C1=CC=C(C=C1)Cl)C)C=1C=CC(=CC1)Cl)C(C)(C)C