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5-(4-Methoxybenzoyl)-4-(3-methylbenzofuran-2-yl)-2-(phenylamino)thiophene-3-carbonitrile

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5-(4-Methoxybenzoyl)-4-(3-methylbenzofuran-2-yl)-2-(phenylamino)thiophene-3-carbonitrile
SpectraBase Compound ID L3u1ybGzG5
InChI InChI=1S/C28H20N2O3S/c1-17-21-10-6-7-11-23(21)33-26(17)24-22(16-29)28(30-19-8-4-3-5-9-19)34-27(24)25(31)18-12-14-20(32-2)15-13-18/h3-15,30H,1-2H3
InChIKey PPEBKSQIUNTNPB-UHFFFAOYSA-N
Mol Weight 464.54 g/mol
Molecular Formula C28H20N2O3S
Exact Mass 464.119464 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gl0M30F1HDt
Name 5-(4-Methoxybenzoyl)-4-(3-methylbenzofuran-2-yl)-2-(phenylamino)thiophene-3-carbonitrile
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 464.119463683 u
Formula C28H20N2O3S
InChI InChI=1S/C28H20N2O3S/c1-17-21-10-6-7-11-23(21)33-26(17)24-22(16-29)28(30-19-8-4-3-5-9-19)34-27(24)25(31)18-12-14-20(32-2)15-13-18/h3-15,30H,1-2H3
InChIKey PPEBKSQIUNTNPB-UHFFFAOYSA-N
Molecular Weight 464.539 g/mol
SMILES C=1C=C2C(=C(OC2=CC1)C=1C(=C(NC2=CC=CC=C2)SC1C(C1=CC=C(C=C1)OC)=O)C#N)C