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2-({5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)-N-(2-isopropylphenyl)acetamide
SpectraBase Compound ID 2Uluv8VavfP
InChI InChI=1S/C20H20ClN3O3S/c1-13(2)14-7-3-5-9-16(14)22-18(25)12-28-20-24-23-19(27-20)11-26-17-10-6-4-8-15(17)21/h3-10,13H,11-12H2,1-2H3,(H,22,25)
InChIKey SOQWZBUTKQBURH-UHFFFAOYSA-N
Mol Weight 417.91 g/mol
Molecular Formula C20H20ClN3O3S
Exact Mass 417.09139 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IWmHrS0divH
Name 2-({5-[(2-Chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)-N-(2-isopropylphenyl)acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 417.091390387 u
Formula C20H20ClN3O3S
InChI InChI=1S/C20H20ClN3O3S/c1-13(2)14-7-3-5-9-16(14)22-18(25)12-28-20-24-23-19(27-20)11-26-17-10-6-4-8-15(17)21/h3-10,13H,11-12H2,1-2H3,(H,22,25)
InChIKey SOQWZBUTKQBURH-UHFFFAOYSA-N
Molecular Weight 417.911 g/mol
SMILES N(C=1C(C(C)C)=CC=CC1)C(CSC=1OC(=NN1)COC=1C(Cl)=CC=CC1)=O