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1-(3,5-dichlorophenyl)-4-methyl-3,5-bis(4-methylphenyl)-1H-pyrazole
SpectraBase Compound ID 7GQhbbh6keR
InChI InChI=1S/C24H20Cl2N2/c1-15-4-8-18(9-5-15)23-17(3)24(19-10-6-16(2)7-11-19)28(27-23)22-13-20(25)12-21(26)14-22/h4-14H,1-3H3
InChIKey HIHHEMFGAJIFKP-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 CrxdZ04hhrU
Name 1-(3,5-Dichlorophenyl)-4-methyl-3,5-bis(4-methylphenyl)-1H-pyrazole
Comments Computed using HOSE algorithm
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Exact Mass 406.100354052 u
Formula C24H20Cl2N2
InChI InChI=1S/C24H20Cl2N2/c1-15-4-8-18(9-5-15)23-17(3)24(19-10-6-16(2)7-11-19)28(27-23)22-13-20(25)12-21(26)14-22/h4-14H,1-3H3
InChIKey HIHHEMFGAJIFKP-UHFFFAOYSA-N
Molecular Weight 407.344 g/mol
SMILES C=1C(=CC(=CC1Cl)N1N=C(C=2C=CC(=CC2)C)C(=C1C1=CC=C(C)C=C1)C)Cl