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2-{[1-(4-chlorophenyl)-2,5-dioxo-3-pyrrolidinyl]sulfanyl}-N-(4-fluorophenyl)acetamide
SpectraBase Compound ID JvHfbjwyhms
InChI InChI=1S/C18H14ClFN2O3S/c19-11-1-7-14(8-2-11)22-17(24)9-15(18(22)25)26-10-16(23)21-13-5-3-12(20)4-6-13/h1-8,15H,9-10H2,(H,21,23)
InChIKey RJFNICPITLZNLN-UHFFFAOYSA-N
Mol Weight 392.83 g/mol
Molecular Formula C18H14ClFN2O3S
Exact Mass 392.039769 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LZRYQBcvALo
Name 2-{[1-(4-Chlorophenyl)-2,5-dioxo-3-pyrrolidinyl]sulfanyl}-N-(4-fluorophenyl)acetamide
Comments Computed using HOSE algorithm
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Exact Mass 392.039769353 u
Formula C18H14ClFN2O3S
InChI InChI=1S/C18H14ClFN2O3S/c19-11-1-7-14(8-2-11)22-17(24)9-15(18(22)25)26-10-16(23)21-13-5-3-12(20)4-6-13/h1-8,15H,9-10H2,(H,21,23)
InChIKey RJFNICPITLZNLN-UHFFFAOYSA-N
Molecular Weight 392.832 g/mol
SMILES N(C(CSC1C(N(C(C1)=O)C1=CC=C(C=C1)Cl)=O)=O)C1=CC=C(C=C1)F