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N-[1-(3,4-dichlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-N'-(1-naphthyl)urea

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N-[1-(3,4-dichlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-N'-(1-naphthyl)urea
SpectraBase Compound ID AvjvPR6Mnq8
InChI InChI=1S/C23H20Cl2N4O/c1-14-22(15(2)29(28-14)13-16-10-11-19(24)20(25)12-16)27-23(30)26-21-9-5-7-17-6-3-4-8-18(17)21/h3-12H,13H2,1-2H3,(H2,26,27,30)
InChIKey PTFHSTQSFKEYOW-UHFFFAOYSA-N
Mol Weight 439.35 g/mol
Molecular Formula C23H20Cl2N4O
Exact Mass 438.101417 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E7o514neHsC
Name N-[1-(3,4-Dichlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-N'-(1-naphthyl)urea
Comments Computed using HOSE algorithm
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Exact Mass 438.101416679 u
Formula C23H20Cl2N4O
InChI InChI=1S/C23H20Cl2N4O/c1-14-22(15(2)29(28-14)13-16-10-11-19(24)20(25)12-16)27-23(30)26-21-9-5-7-17-6-3-4-8-18(17)21/h3-12H,13H2,1-2H3,(H2,26,27,30)
InChIKey PTFHSTQSFKEYOW-UHFFFAOYSA-N
Molecular Weight 439.346 g/mol
SMILES N(C(=O)NC1=C(N(N=C1C)CC=1C=C(Cl)C(=CC1)Cl)C)C1=C2C(C=CC=C2)=CC=C1