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benzenesulfonamide, 4-bromo-N-[(1-methyl-1H-pyrazol-3-yl)methyl]-N-(2-phenylethyl)-
SpectraBase Compound ID LrGL8RexqKb
InChI InChI=1S/C19H20BrN3O2S/c1-22-13-12-18(21-22)15-23(14-11-16-5-3-2-4-6-16)26(24,25)19-9-7-17(20)8-10-19/h2-10,12-13H,11,14-15H2,1H3
InChIKey MTZSXAHLRSIYAA-UHFFFAOYSA-N
Mol Weight 434.35 g/mol
Molecular Formula C19H20BrN3O2S
Exact Mass 433.045961 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 81tmGLJwRXM
Name Benzenesulfonamide, 4-bromo-N-[(1-methyl-1H-pyrazol-3-yl)methyl]-N-(2-phenylethyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 433.045961068 u
Formula C19H20BrN3O2S
InChI InChI=1S/C19H20BrN3O2S/c1-22-13-12-18(21-22)15-23(14-11-16-5-3-2-4-6-16)26(24,25)19-9-7-17(20)8-10-19/h2-10,12-13H,11,14-15H2,1H3
InChIKey MTZSXAHLRSIYAA-UHFFFAOYSA-N
Molecular Weight 434.352 g/mol
SMILES C=1C=CC(CCN(S(C=2C=CC(=CC2)Br)(=O)=O)CC2=NN(C)C=C2)=CC1