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N-[3,5-dimethyl-1-(4-methylbenzyl)-1H-pyrazol-4-yl]-4-methoxybenzenesulfonamide
SpectraBase Compound ID 4wsVkF4rCxC
InChI InChI=1S/C20H23N3O3S/c1-14-5-7-17(8-6-14)13-23-16(3)20(15(2)21-23)22-27(24,25)19-11-9-18(26-4)10-12-19/h5-12,22H,13H2,1-4H3
InChIKey AVXVJGDIHAKHFR-UHFFFAOYSA-N
Mol Weight 385.48 g/mol
Molecular Formula C20H23N3O3S
Exact Mass 385.146013 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LNk5Lwu75qL
Name N-[3,5-Dimethyl-1-(4-methylbenzyl)-1H-pyrazol-4-yl]-4-methoxybenzenesulfonamide
Comments Computed using HOSE algorithm
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Exact Mass 385.146012784 u
Formula C20H23N3O3S
InChI InChI=1S/C20H23N3O3S/c1-14-5-7-17(8-6-14)13-23-16(3)20(15(2)21-23)22-27(24,25)19-11-9-18(26-4)10-12-19/h5-12,22H,13H2,1-4H3
InChIKey AVXVJGDIHAKHFR-UHFFFAOYSA-N
Molecular Weight 385.482 g/mol
SMILES N(C1=C(N(N=C1C)CC=1C=CC(C)=CC1)C)S(C=1C=CC(=CC1)OC)(=O)=O