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1-(2,4-dichlorophenyl)-3,5-bis(4-fluorophenyl)-4-methyl-1H-pyrazole

View entire compound with spectra: 2 NMR

1-(2,4-dichlorophenyl)-3,5-bis(4-fluorophenyl)-4-methyl-1H-pyrazole
SpectraBase Compound ID 65S6nc6ppPl
InChI InChI=1S/C22H14Cl2F2N2/c1-13-21(14-2-7-17(25)8-3-14)27-28(20-11-6-16(23)12-19(20)24)22(13)15-4-9-18(26)10-5-15/h2-12H,1H3
InChIKey BWTYRGZIJMXPQF-UHFFFAOYSA-N
Mol Weight 415.27 g/mol
Molecular Formula C22H14Cl2F2N2
Exact Mass 414.05021 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8t53SEb33Yx
Name 1-(2,4-Dichlorophenyl)-3,5-bis(4-fluorophenyl)-4-methyl-1H-pyrazole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 414.050210185 u
Formula C22H14Cl2F2N2
InChI InChI=1S/C22H14Cl2F2N2/c1-13-21(14-2-7-17(25)8-3-14)27-28(20-11-6-16(23)12-19(20)24)22(13)15-4-9-18(26)10-5-15/h2-12H,1H3
InChIKey BWTYRGZIJMXPQF-UHFFFAOYSA-N
Molecular Weight 415.271 g/mol
SMILES C1=CC(=C(C=C1Cl)Cl)N1N=C(C=2C=CC(=CC2)F)C(=C1C1=CC=C(F)C=C1)C