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4-chloro-1,3,5-tris(4-methylphenyl)-1H-pyrazole

View entire compound with spectra: 2 NMR

4-chloro-1,3,5-tris(4-methylphenyl)-1H-pyrazole
SpectraBase Compound ID LW4USLRASoB
InChI InChI=1S/C24H21ClN2/c1-16-4-10-19(11-5-16)23-22(25)24(20-12-6-17(2)7-13-20)27(26-23)21-14-8-18(3)9-15-21/h4-15H,1-3H3
InChIKey SDZAKCZAYOLLIQ-UHFFFAOYSA-N
Mol Weight 372.9 g/mol
Molecular Formula C24H21ClN2
Exact Mass 372.139326 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LwZaZVFVDV3
Name 4-Chloro-1,3,5-tris(4-methylphenyl)-1H-pyrazole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 372.139326384 u
Formula C24H21ClN2
InChI InChI=1S/C24H21ClN2/c1-16-4-10-19(11-5-16)23-22(25)24(20-12-6-17(2)7-13-20)27(26-23)21-14-8-18(3)9-15-21/h4-15H,1-3H3
InChIKey SDZAKCZAYOLLIQ-UHFFFAOYSA-N
Molecular Weight 372.899 g/mol
SMILES CC=1C=CC(=CC1)N1C(=C(Cl)C(=N1)C=1C=CC(=CC1)C)C1=CC=C(C)C=C1