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N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-N-methyl-N'-(1-naphthyl)urea
SpectraBase Compound ID 4RdBpCG460n
InChI InChI=1S/C18H20N4O/c1-13-15(12-22(3)20-13)11-21(2)18(23)19-17-10-6-8-14-7-4-5-9-16(14)17/h4-10,12H,11H2,1-3H3,(H,19,23)
InChIKey LDZXLWIOIVZRMP-UHFFFAOYSA-N
Mol Weight 308.39 g/mol
Molecular Formula C18H20N4O
Exact Mass 308.163711 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HJH7SJg7Y5V
Name N-[(1,3-Dimethyl-1H-pyrazol-4-yl)methyl]-N-methyl-N'-(1-naphthyl)urea
Comments Computed using HOSE algorithm
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Exact Mass 308.163711279 u
Formula C18H20N4O
InChI InChI=1S/C18H20N4O/c1-13-15(12-22(3)20-13)11-21(2)18(23)19-17-10-6-8-14-7-4-5-9-16(14)17/h4-10,12H,11H2,1-3H3,(H,19,23)
InChIKey LDZXLWIOIVZRMP-UHFFFAOYSA-N
Molecular Weight 308.385 g/mol
SMILES N(C(=O)N(CC=1C(=NN(C1)C)C)C)C1=C2C(C=CC=C2)=CC=C1