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2-[3,5-bis(2,4-dimethylphenyl)-1H-pyrazol-1-yl]-4-(4-chlorophenyl)-1,3-thiazole

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2-[3,5-bis(2,4-dimethylphenyl)-1H-pyrazol-1-yl]-4-(4-chlorophenyl)-1,3-thiazole
SpectraBase Compound ID ApLK9xR4bWP
InChI InChI=1S/C28H24ClN3S/c1-17-5-11-23(19(3)13-17)25-15-27(24-12-6-18(2)14-20(24)4)32(31-25)28-30-26(16-33-28)21-7-9-22(29)10-8-21/h5-16H,1-4H3
InChIKey LCXUTFLTHYRLDM-UHFFFAOYSA-N
Mol Weight 470.03 g/mol
Molecular Formula C28H24ClN3S
Exact Mass 469.137947 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 69qlzO1ZQmf
Name 2-[3,5-bis(2,4-Dimethylphenyl)-1H-pyrazol-1-yl]-4-(4-chlorophenyl)-1,3-thiazole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 469.137946659 u
Formula C28H24ClN3S
InChI InChI=1S/C28H24ClN3S/c1-17-5-11-23(19(3)13-17)25-15-27(24-12-6-18(2)14-20(24)4)32(31-25)28-30-26(16-33-28)21-7-9-22(29)10-8-21/h5-16H,1-4H3
InChIKey LCXUTFLTHYRLDM-UHFFFAOYSA-N
Molecular Weight 470.034 g/mol
SMILES C1=C(Cl)C=CC(C=2N=C(SC2)N2C(=CC(=N2)C=2C(=CC(C)=CC2)C)C=2C(=CC(C)=CC2)C)=C1