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3-[(4-Fluorophenyl)sulfanyl]-1-(4-{3-[(4-fluorophenyl)sulfanyl]-2,5-dioxo-1-pyrrolidinyl}phenyl)-2,5-pyrrolidinedione
SpectraBase Compound ID 3emkaEMBRTp
InChI InChI=1S/C26H18F2N2O4S2/c27-15-1-9-19(10-2-15)35-21-13-23(31)29(25(21)33)17-5-7-18(8-6-17)30-24(32)14-22(26(30)34)36-20-11-3-16(28)4-12-20/h1-12,21-22H,13-14H2
InChIKey FHXIJASABBKONU-UHFFFAOYSA-N
Mol Weight 524.56 g/mol
Molecular Formula C26H18F2N2O4S2
Exact Mass 524.067606 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J6mJhBd1FnH
Name 3-[(4-Fluorophenyl)sulfanyl]-1-(4-{3-[(4-fluorophenyl)sulfanyl]-2,5-dioxo-1-pyrrolidinyl}phenyl)-2,5-pyrrolidinedione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 524.067605738 u
Formula C26H18F2N2O4S2
InChI InChI=1S/C26H18F2N2O4S2/c27-15-1-9-19(10-2-15)35-21-13-23(31)29(25(21)33)17-5-7-18(8-6-17)30-24(32)14-22(26(30)34)36-20-11-3-16(28)4-12-20/h1-12,21-22H,13-14H2
InChIKey FHXIJASABBKONU-UHFFFAOYSA-N
Molecular Weight 524.557 g/mol
SMILES C1=CC(SC2C(N(C(C2)=O)C2=CC=C(N3C(CC(C3=O)SC3=CC=C(C=C3)F)=O)C=C2)=O)=CC=C1F