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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9jtlTKCTnK1
Name 5-(4-Methoxybenzoyl)-4-(3-methylbenzofuran-2-yl)-2-(phenylamino)thiophene-3-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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
Literature Reference DOI 10.1002/hc.20298
Molecular Weight 464.539 g/mol
SMILES N(c1c(c(-c2oc3c(c2C)cccc3)c(C(c2ccc(cc2)OC)=O)s1)C#N)c1ccccc1
SPLASH splash10-001i-3305900000-1acca531a7b1dc47763a
Source of Spectrum HAC-18-297-6b
Wiley ID 1776044