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5-Benzoyl-4-(3-methylbenzofuran-2-yl)-2-(phenylamino)thiophene-3-carbonitrile
SpectraBase Compound ID 3UvbbpgJBXu
InChI InChI=1S/C27H18N2O2S/c1-17-20-14-8-9-15-22(20)31-25(17)23-21(16-28)27(29-19-12-6-3-7-13-19)32-26(23)24(30)18-10-4-2-5-11-18/h2-15,29H,1H3
InChIKey WCQCNESXUTWXRO-UHFFFAOYSA-N
Mol Weight 434.51 g/mol
Molecular Formula C27H18N2O2S
Exact Mass 434.108899 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DCapGqSZp3a
Name 5-Benzoyl-4-(3-methylbenzofuran-2-yl)-2-(phenylamino)thiophene-3-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H18N2O2S
InChI InChI=1S/C27H18N2O2S/c1-17-20-14-8-9-15-22(20)31-25(17)23-21(16-28)27(29-19-12-6-3-7-13-19)32-26(23)24(30)18-10-4-2-5-11-18/h2-15,29H,1H3
InChIKey WCQCNESXUTWXRO-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hc.20298
Molecular Weight 434.513 g/mol
SMILES N(c1c(C#N)c(-c2oc3c(cccc3)c2C)c(C(c2ccccc2)=O)s1)c1ccccc1
SPLASH splash10-069r-2202900000-a755ce70a85824fdb263
Source of Spectrum HAC-18-297-6a
Wiley ID 1776043