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2'-[5-(2-Bromo-5-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-chlorobenzenesulfonanilide

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2'-[5-(2-Bromo-5-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-chlorobenzenesulfonanilide
SpectraBase Compound ID KzCoaWoQIs5
InChI InChI=1S/C21H15BrClN3O4S/c1-29-14-8-11-18(22)17(12-14)21-25-24-20(30-21)16-4-2-3-5-19(16)26-31(27,28)15-9-6-13(23)7-10-15/h2-12,26H,1H3
InChIKey HNHJXTVJJXUZFO-UHFFFAOYSA-N
Mol Weight 520.79 g/mol
Molecular Formula C21H15BrClN3O4S
Exact Mass 518.965518 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GGWkjBnH8cX
Name 2'-[5-(2-Bromo-5-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-chlorobenzenesulfonanilide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 518.965517845 u
Formula C21H15BrClN3O4S
InChI InChI=1S/C21H15BrClN3O4S/c1-29-14-8-11-18(22)17(12-14)21-25-24-20(30-21)16-4-2-3-5-19(16)26-31(27,28)15-9-6-13(23)7-10-15/h2-12,26H,1H3
InChIKey HNHJXTVJJXUZFO-UHFFFAOYSA-N
Molecular Weight 520.785 g/mol
SMILES N(C1=CC=CC=C1C1=NN=C(O1)C1=CC(=CC=C1Br)OC)S(=O)(=O)C=1C=CC(=CC1)Cl