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4-chloro-1-(3-chlorobenzyl)-3,5-bis(4-methylphenyl)-1H-pyrazole

View entire compound with spectra: 2 NMR

4-chloro-1-(3-chlorobenzyl)-3,5-bis(4-methylphenyl)-1H-pyrazole
SpectraBase Compound ID AGyVZClIYmY
InChI InChI=1S/C24H20Cl2N2/c1-16-6-10-19(11-7-16)23-22(26)24(20-12-8-17(2)9-13-20)28(27-23)15-18-4-3-5-21(25)14-18/h3-14H,15H2,1-2H3
InChIKey QRYZZIJZAPHGOT-UHFFFAOYSA-N
Mol Weight 407.34 g/mol
Molecular Formula C24H20Cl2N2
Exact Mass 406.100354 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FFYJtu1aqiE
Name 4-Chloro-1-(3-chlorobenzyl)-3,5-bis(4-methylphenyl)-1H-pyrazole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 406.100354052 u
Formula C24H20Cl2N2
InChI InChI=1S/C24H20Cl2N2/c1-16-6-10-19(11-7-16)23-22(26)24(20-12-8-17(2)9-13-20)28(27-23)15-18-4-3-5-21(25)14-18/h3-14H,15H2,1-2H3
InChIKey QRYZZIJZAPHGOT-UHFFFAOYSA-N
Molecular Weight 407.344 g/mol
SMILES C1=CC=C(C=C1Cl)CN1C(=C(Cl)C(=N1)C=1C=CC(=CC1)C)C=1C=CC(=CC1)C