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N-[3,5-dimethyl-1-(2-methylbenzyl)-1H-pyrazol-4-yl]-N'-phenylurea
SpectraBase Compound ID 2rGNMQ0A52o
InChI InChI=1S/C20H22N4O/c1-14-9-7-8-10-17(14)13-24-16(3)19(15(2)23-24)22-20(25)21-18-11-5-4-6-12-18/h4-12H,13H2,1-3H3,(H2,21,22,25)
InChIKey BANARKYEFBYCBI-UHFFFAOYSA-N
Mol Weight 334.42 g/mol
Molecular Formula C20H22N4O
Exact Mass 334.179361 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C5fkJN05H4C
Name N-[3,5-Dimethyl-1-(2-methylbenzyl)-1H-pyrazol-4-yl]-N'-phenylurea
Comments Computed using HOSE algorithm
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Exact Mass 334.179361343 u
Formula C20H22N4O
InChI InChI=1S/C20H22N4O/c1-14-9-7-8-10-17(14)13-24-16(3)19(15(2)23-24)22-20(25)21-18-11-5-4-6-12-18/h4-12H,13H2,1-3H3,(H2,21,22,25)
InChIKey BANARKYEFBYCBI-UHFFFAOYSA-N
SMILES N(C(=O)NC1=C(N(N=C1C)CC=1C(C)=CC=CC1)C)C1=CC=CC=C1