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N-(4-chlorophenyl)-2-{[1-(4-ethoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]sulfanyl}acetamide
SpectraBase Compound ID CWMlAilSj0F
InChI InChI=1S/C20H19ClN2O4S/c1-2-27-16-9-7-15(8-10-16)23-19(25)11-17(20(23)26)28-12-18(24)22-14-5-3-13(21)4-6-14/h3-10,17H,2,11-12H2,1H3,(H,22,24)
InChIKey PNAPYGCDWNIGOR-UHFFFAOYSA-N
Mol Weight 418.9 g/mol
Molecular Formula C20H19ClN2O4S
Exact Mass 418.075406 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1z6SCQAeVDw
Name N-(4-Chlorophenyl)-2-{[1-(4-ethoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]sulfanyl}acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 418.075405970 u
Formula C20H19ClN2O4S
InChI InChI=1S/C20H19ClN2O4S/c1-2-27-16-9-7-15(8-10-16)23-19(25)11-17(20(23)26)28-12-18(24)22-14-5-3-13(21)4-6-14/h3-10,17H,2,11-12H2,1H3,(H,22,24)
InChIKey PNAPYGCDWNIGOR-UHFFFAOYSA-N
Molecular Weight 418.895 g/mol
SMILES N(C(CSC1C(N(C(C1)=O)C1=CC=C(C=C1)OCC)=O)=O)C1=CC=C(C=C1)Cl