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3-[(4-Chlorophenyl)sulfanyl]-1-(3,5-dimethoxyphenyl)-2,5-pyrrolidinedione

View entire compound with spectra: 2 NMR

3-[(4-Chlorophenyl)sulfanyl]-1-(3,5-dimethoxyphenyl)-2,5-pyrrolidinedione
SpectraBase Compound ID LWhhjuvDuuD
InChI InChI=1S/C18H16ClNO4S/c1-23-13-7-12(8-14(9-13)24-2)20-17(21)10-16(18(20)22)25-15-5-3-11(19)4-6-15/h3-9,16H,10H2,1-2H3
InChIKey HOQZPCVPAUTXTM-UHFFFAOYSA-N
Mol Weight 377.84 g/mol
Molecular Formula C18H16ClNO4S
Exact Mass 377.048857 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5Xc4muAeKZC
Name 3-[(4-Chlorophenyl)sulfanyl]-1-(3,5-dimethoxyphenyl)-2,5-pyrrolidinedione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 377.048856869 u
Formula C18H16ClNO4S
InChI InChI=1S/C18H16ClNO4S/c1-23-13-7-12(8-14(9-13)24-2)20-17(21)10-16(18(20)22)25-15-5-3-11(19)4-6-15/h3-9,16H,10H2,1-2H3
InChIKey HOQZPCVPAUTXTM-UHFFFAOYSA-N
Molecular Weight 377.842 g/mol
SMILES COC1=CC(N2C(CC(C2=O)SC=2C=CC(=CC2)Cl)=O)=CC(=C1)OC