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N-[1-(4-fluorobenzyl)-1H-pyrazol-4-yl]-4-methylbenzenesulfonamide

View entire compound with spectra: 2 NMR

N-[1-(4-fluorobenzyl)-1H-pyrazol-4-yl]-4-methylbenzenesulfonamide
SpectraBase Compound ID 70SBm96UaQN
InChI InChI=1S/C17H16FN3O2S/c1-13-2-8-17(9-3-13)24(22,23)20-16-10-19-21(12-16)11-14-4-6-15(18)7-5-14/h2-10,12,20H,11H2,1H3
InChIKey KXGWEWLSTLXDGA-UHFFFAOYSA-N
Mol Weight 345.39 g/mol
Molecular Formula C17H16FN3O2S
Exact Mass 345.094726 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID xh0S7eGeRh
Name N-[1-(4-Fluorobenzyl)-1H-pyrazol-4-yl]-4-methylbenzenesulfonamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 345.094726102 u
Formula C17H16FN3O2S
InChI InChI=1S/C17H16FN3O2S/c1-13-2-8-17(9-3-13)24(22,23)20-16-10-19-21(12-16)11-14-4-6-15(18)7-5-14/h2-10,12,20H,11H2,1H3
InChIKey KXGWEWLSTLXDGA-UHFFFAOYSA-N
Molecular Weight 345.392 g/mol
SMILES N(C1=CN(N=C1)CC=1C=CC(=CC1)F)S(C=1C=CC(C)=CC1)(=O)=O