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2,5-Bis[4-(2-chlorobenzoylamino)phenyl]-3,4-diphenylthiophene

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2,5-Bis[4-(2-chlorobenzoylamino)phenyl]-3,4-diphenylthiophene
SpectraBase Compound ID L9wG9JhEczG
InChI InChI=1S/C42H28Cl2N2O2S/c43-33-19-11-31(12-20-33)41(47)45-35-23-15-29(16-24-35)39-37(27-7-3-1-4-8-27)38(28-9-5-2-6-10-28)40(49-39)30-17-25-36(26-18-30)46-42(48)32-13-21-34(44)22-14-32/h1-26H,(H,45,47)(H,46,48)
InChIKey HGIBVSOSIIFHFX-UHFFFAOYSA-N
Mol Weight 695.7 g/mol
Molecular Formula C42H28Cl2N2O2S
Exact Mass 694.124855 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K6RPOXEFiuu
Name 2,5-bis[4-(2-Chlorobenzoylamino)phenyl]-3,4-diphenylthiophene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 694.124854722 u
Formula C42H28Cl2N2O2S
InChI InChI=1S/C42H28Cl2N2O2S/c43-33-19-11-31(12-20-33)41(47)45-35-23-15-29(16-24-35)39-37(27-7-3-1-4-8-27)38(28-9-5-2-6-10-28)40(49-39)30-17-25-36(26-18-30)46-42(48)32-13-21-34(44)22-14-32/h1-26H,(H,45,47)(H,46,48)
InChIKey HGIBVSOSIIFHFX-UHFFFAOYSA-N
SMILES C1(=C(SC(=C1C1=CC=CC=C1)C1=CC=C(C=C1)NC(C1=CC=C(C=C1)Cl)=O)C1=CC=C(C=C1)NC(C1=CC=C(C=C1)Cl)=O)C1=CC=CC=C1