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acetamide, N-(3-chloro-4-methylphenyl)-2-[[5-[3-(4-methoxyphenyl)propyl]-1,3,4-oxadiazol-2-yl]thio]-
SpectraBase Compound ID I89wLH2DRre
InChI InChI=1S/C21H22ClN3O3S/c1-14-6-9-16(12-18(14)22)23-19(26)13-29-21-25-24-20(28-21)5-3-4-15-7-10-17(27-2)11-8-15/h6-12H,3-5,13H2,1-2H3,(H,23,26)
InChIKey FAGWLPUZULJJAN-UHFFFAOYSA-N
Mol Weight 431.94 g/mol
Molecular Formula C21H22ClN3O3S
Exact Mass 431.10704 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FKnCKuDxjJO
Name Acetamide, N-(3-chloro-4-methylphenyl)-2-[[5-[3-(4-methoxyphenyl)propyl]-1,3,4-oxadiazol-2-yl]thio]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 431.107040451 u
Formula C21H22ClN3O3S
InChI InChI=1S/C21H22ClN3O3S/c1-14-6-9-16(12-18(14)22)23-19(26)13-29-21-25-24-20(28-21)5-3-4-15-7-10-17(27-2)11-8-15/h6-12H,3-5,13H2,1-2H3,(H,23,26)
InChIKey FAGWLPUZULJJAN-UHFFFAOYSA-N
Molecular Weight 431.938 g/mol
SMILES N(C(CSC=1OC(=NN1)CCCC=1C=CC(=CC1)OC)=O)C1=CC(Cl)=C(C=C1)C