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N-[3,5-dimethyl-1-(4-methylbenzyl)-1H-pyrazol-4-yl]-2-methoxybenzamide
SpectraBase Compound ID CCeJ8gVnSqC
InChI InChI=1S/C21H23N3O2/c1-14-9-11-17(12-10-14)13-24-16(3)20(15(2)23-24)22-21(25)18-7-5-6-8-19(18)26-4/h5-12H,13H2,1-4H3,(H,22,25)
InChIKey KWYGDPQEIJMEQK-UHFFFAOYSA-N
Mol Weight 349.43 g/mol
Molecular Formula C21H23N3O2
Exact Mass 349.179027 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bc5poLS7RoY
Name N-[3,5-Dimethyl-1-(4-methylbenzyl)-1H-pyrazol-4-yl]-2-methoxybenzamide
Comments Computed using HOSE algorithm
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Exact Mass 349.179026991 u
Formula C21H23N3O2
InChI InChI=1S/C21H23N3O2/c1-14-9-11-17(12-10-14)13-24-16(3)20(15(2)23-24)22-21(25)18-7-5-6-8-19(18)26-4/h5-12H,13H2,1-4H3,(H,22,25)
InChIKey KWYGDPQEIJMEQK-UHFFFAOYSA-N
Molecular Weight 349.434 g/mol
SMILES N(C1=C(N(N=C1C)CC=1C=CC(C)=CC1)C)C(C=1C(OC)=CC=CC1)=O