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2-{[4-chloro-3,5-bis(4-methylphenyl)-1H-pyrazol-1-yl]methyl}pyridine
SpectraBase Compound ID 3WDxkh4ibyP
InChI InChI=1S/C23H20ClN3/c1-16-6-10-18(11-7-16)22-21(24)23(19-12-8-17(2)9-13-19)27(26-22)15-20-5-3-4-14-25-20/h3-14H,15H2,1-2H3
InChIKey AAHLCWJZNCMDKI-UHFFFAOYSA-N
Mol Weight 373.89 g/mol
Molecular Formula C23H20ClN3
Exact Mass 373.134575 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4chTbFPs5Go
Name 2-{[4-Chloro-3,5-bis(4-methylphenyl)-1H-pyrazol-1-yl]methyl}pyridine
Comments Computed using HOSE algorithm
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Exact Mass 373.134575356 u
Formula C23H20ClN3
InChI InChI=1S/C23H20ClN3/c1-16-6-10-18(11-7-16)22-21(24)23(19-12-8-17(2)9-13-19)27(26-22)15-20-5-3-4-14-25-20/h3-14H,15H2,1-2H3
InChIKey AAHLCWJZNCMDKI-UHFFFAOYSA-N
Molecular Weight 373.887 g/mol
SMILES C1=CC=NC(=C1)CN1C(=C(Cl)C(=N1)C=1C=CC(=CC1)C)C=1C=CC(=CC1)C