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acetamide, 2-[[1-(3-chlorophenyl)-2,5-dioxo-3-pyrrolidinyl]thio]-N-(3,4-dichlorophenyl)-
SpectraBase Compound ID IeB77CS2sg6
InChI InChI=1S/C18H13Cl3N2O3S/c19-10-2-1-3-12(6-10)23-17(25)8-15(18(23)26)27-9-16(24)22-11-4-5-13(20)14(21)7-11/h1-7,15H,8-9H2,(H,22,24)
InChIKey BRBZNNOVJYXMOL-UHFFFAOYSA-N
Mol Weight 443.73 g/mol
Molecular Formula C18H13Cl3N2O3S
Exact Mass 441.971247 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 50d3X7usQE7
Name Acetamide, 2-[[1-(3-chlorophenyl)-2,5-dioxo-3-pyrrolidinyl]thio]-N-(3,4-dichlorophenyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 441.971246558 u
Formula C18H13Cl3N2O3S
InChI InChI=1S/C18H13Cl3N2O3S/c19-10-2-1-3-12(6-10)23-17(25)8-15(18(23)26)27-9-16(24)22-11-4-5-13(20)14(21)7-11/h1-7,15H,8-9H2,(H,22,24)
InChIKey BRBZNNOVJYXMOL-UHFFFAOYSA-N
Molecular Weight 443.732 g/mol
SMILES N(C(CSC1C(N(C(C1)=O)C=1C=C(Cl)C=CC1)=O)=O)C1=CC(Cl)=C(C=C1)Cl