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

View entire compound with spectra: 2 NMR

4-fluoro-N-[1-(4-fluorobenzyl)-1H-pyrazol-4-yl]benzenesulfonamide
SpectraBase Compound ID IHHjICEXXiY
InChI InChI=1S/C16H13F2N3O2S/c17-13-3-1-12(2-4-13)10-21-11-15(9-19-21)20-24(22,23)16-7-5-14(18)6-8-16/h1-9,11,20H,10H2
InChIKey PXNJZGBGWXAYPX-UHFFFAOYSA-N
Mol Weight 349.36 g/mol
Molecular Formula C16H13F2N3O2S
Exact Mass 349.069654 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GVmXpSKQfi8
Name 4-Fluoro-N-[1-(4-fluorobenzyl)-1H-pyrazol-4-yl]benzenesulfonamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 349.069654169 u
Formula C16H13F2N3O2S
InChI InChI=1S/C16H13F2N3O2S/c17-13-3-1-12(2-4-13)10-21-11-15(9-19-21)20-24(22,23)16-7-5-14(18)6-8-16/h1-9,11,20H,10H2
InChIKey PXNJZGBGWXAYPX-UHFFFAOYSA-N
Molecular Weight 349.356 g/mol
SMILES N(C1=CN(N=C1)CC=1C=CC(=CC1)F)S(C=1C=CC(=CC1)F)(=O)=O