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2'-[5-(p-Tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-4,6-dichloro-m-toluenesulfonanilide

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2'-[5-(p-Tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-4,6-dichloro-m-toluenesulfonanilide
SpectraBase Compound ID HZKJCmTAsEM
InChI InChI=1S/C25H23Cl2N3O3S/c1-15-13-22(20(27)14-19(15)26)34(31,32)30-21-8-6-5-7-18(21)24-29-28-23(33-24)16-9-11-17(12-10-16)25(2,3)4/h5-14,30H,1-4H3
InChIKey UWTJGQFLIUMYCS-UHFFFAOYSA-N
Mol Weight 516.44 g/mol
Molecular Formula C25H23Cl2N3O3S
Exact Mass 515.083718 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1Xio0TuGRcB
Name 2'-[5-(p-Tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-4,6-dichloro-m-toluenesulfonanilide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 515.083718184 u
Formula C25H23Cl2N3O3S
InChI InChI=1S/C25H23Cl2N3O3S/c1-15-13-22(20(27)14-19(15)26)34(31,32)30-21-8-6-5-7-18(21)24-29-28-23(33-24)16-9-11-17(12-10-16)25(2,3)4/h5-14,30H,1-4H3
InChIKey UWTJGQFLIUMYCS-UHFFFAOYSA-N
Molecular Weight 516.443 g/mol
SMILES N(C1=CC=CC=C1C1=NN=C(O1)C1=CC=C(C=C1)C(C)(C)C)S(=O)(=O)C=1C=C(C(=CC1Cl)Cl)C