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N-[1-(2,6-dichlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-3-methylbenzamide

View entire compound with spectra: 2 NMR

N-[1-(2,6-dichlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-3-methylbenzamide
SpectraBase Compound ID 40TSHdGFVDz
InChI InChI=1S/C20H19Cl2N3O/c1-12-6-4-7-15(10-12)20(26)23-19-13(2)24-25(14(19)3)11-16-17(21)8-5-9-18(16)22/h4-10H,11H2,1-3H3,(H,23,26)
InChIKey TVOPMDYXJPTTHY-UHFFFAOYSA-N
Mol Weight 388.3 g/mol
Molecular Formula C20H19Cl2N3O
Exact Mass 387.090518 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7RdA275zu7h
Name N-[1-(2,6-Dichlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-3-methylbenzamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 387.090517643 u
Formula C20H19Cl2N3O
InChI InChI=1S/C20H19Cl2N3O/c1-12-6-4-7-15(10-12)20(26)23-19-13(2)24-25(14(19)3)11-16-17(21)8-5-9-18(16)22/h4-10H,11H2,1-3H3,(H,23,26)
InChIKey TVOPMDYXJPTTHY-UHFFFAOYSA-N
Molecular Weight 388.298 g/mol
SMILES N(C1=C(N(N=C1C)CC=1C(Cl)=CC=CC1Cl)C)C(C=1C=C(C)C=CC1)=O