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O-(3,4-dichlorobenzoyl)-alpha-[(2-pyridyl)thio]-m-toluamidoxime

View entire compound with spectra: 2 NMR, and 1 FTIR

O-(3,4-dichlorobenzoyl)-alpha-[(2-pyridyl)thio]-m-toluamidoxime
SpectraBase Compound ID GhWrvf9tBfF
InChI InChI=1S/C20H15Cl2N3O2S/c21-16-8-7-15(11-17(16)22)20(26)27-25-19(23)14-5-3-4-13(10-14)12-28-18-6-1-2-9-24-18/h1-11H,12H2,(H2,23,25)
InChIKey YPCLWBRDGHYSAZ-UHFFFAOYSA-N
Mol Weight 432.33 g/mol
Molecular Formula C20H15Cl2N3O2S
Exact Mass 431.026203 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BHCqJQKb0e9
Name o-(3,4-Dichlorobenzoyl)-alpha-[(2-pyridyl)thio]-m-toluamidoxime
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 431.026203307 u
Formula C20H15Cl2N3O2S
InChI InChI=1S/C20H15Cl2N3O2S/c21-16-8-7-15(11-17(16)22)20(26)27-25-19(23)14-5-3-4-13(10-14)12-28-18-6-1-2-9-24-18/h1-11H,12H2,(H2,23,25)
InChIKey YPCLWBRDGHYSAZ-UHFFFAOYSA-N
Molecular Weight 432.325 g/mol
SMILES NC(C1=CC=CC(=C1)CSC1=CC=CC=N1)=NOC(=O)C=1C=CC(=C(C1)Cl)Cl