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4-chloro-1-(2-chlorobenzyl)-3,5-bis(4-methylphenyl)-1H-pyrazole

View entire compound with spectra: 2 NMR

4-chloro-1-(2-chlorobenzyl)-3,5-bis(4-methylphenyl)-1H-pyrazole
SpectraBase Compound ID 2BtWDDGZmBw
InChI InChI=1S/C24H20Cl2N2/c1-16-7-11-18(12-8-16)23-22(26)24(19-13-9-17(2)10-14-19)28(27-23)15-20-5-3-4-6-21(20)25/h3-14H,15H2,1-2H3
InChIKey FDBNJQCPKIXDNG-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 4H2jbA1hEo8
Name 4-Chloro-1-(2-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/c1-16-7-11-18(12-8-16)23-22(26)24(19-13-9-17(2)10-14-19)28(27-23)15-20-5-3-4-6-21(20)25/h3-14H,15H2,1-2H3
InChIKey FDBNJQCPKIXDNG-UHFFFAOYSA-N
Molecular Weight 407.344 g/mol
SMILES C=1C=CC(=C(C1)CN1C(=C(Cl)C(=N1)C=1C=CC(=CC1)C)C=1C=CC(=CC1)C)Cl