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4-chloro-3,5-bis(4-chlorophenyl)-1-(4-methoxybenzyl)-1H-pyrazole

View entire compound with spectra: 2 NMR

4-chloro-3,5-bis(4-chlorophenyl)-1-(4-methoxybenzyl)-1H-pyrazole
SpectraBase Compound ID I6mqf9JDfSg
InChI InChI=1S/C23H17Cl3N2O/c1-29-20-12-2-15(3-13-20)14-28-23(17-6-10-19(25)11-7-17)21(26)22(27-28)16-4-8-18(24)9-5-16/h2-13H,14H2,1H3
InChIKey MNCIVZWFBKWLTI-UHFFFAOYSA-N
Mol Weight 443.76 g/mol
Molecular Formula C23H17Cl3N2O
Exact Mass 442.040646 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ElLRVXFjjkn
Name 4-Chloro-3,5-bis(4-chlorophenyl)-1-(4-methoxybenzyl)-1H-pyrazole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 442.040646274 u
Formula C23H17Cl3N2O
InChI InChI=1S/C23H17Cl3N2O/c1-29-20-12-2-15(3-13-20)14-28-23(17-6-10-19(25)11-7-17)21(26)22(27-28)16-4-8-18(24)9-5-16/h2-13H,14H2,1H3
InChIKey MNCIVZWFBKWLTI-UHFFFAOYSA-N
Molecular Weight 443.761 g/mol
SMILES COC=1C=CC(=CC1)CN1C(=C(Cl)C(=N1)C=1C=CC(=CC1)Cl)C=1C=CC(=CC1)Cl