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Benzonitrile, 4-[2-(4-ethoxybenzoyl)-5-(4-ethoxyphenyl)-3-thienyl]-
SpectraBase Compound ID 6eg80LhHdLT
InChI InChI=1S/C28H23NO3S/c1-3-31-23-13-9-21(10-14-23)26-17-25(20-7-5-19(18-29)6-8-20)28(33-26)27(30)22-11-15-24(16-12-22)32-4-2/h5-17H,3-4H2,1-2H3
InChIKey LBNCIWNLHOCFKJ-UHFFFAOYSA-N
Mol Weight 453.56 g/mol
Molecular Formula C28H23NO3S
Exact Mass 453.139865 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IFRPml8KSHy
Name Benzonitrile, 4-[2-(4-ethoxybenzoyl)-5-(4-ethoxyphenyl)-3-thienyl]-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H23NO3S
InChI InChI=1S/C28H23NO3S/c1-3-31-23-13-9-21(10-14-23)26-17-25(20-7-5-19(18-29)6-8-20)28(33-26)27(30)22-11-15-24(16-12-22)32-4-2/h5-17H,3-4H2,1-2H3
InChIKey LBNCIWNLHOCFKJ-UHFFFAOYSA-N
Molecular Weight 453.556 g/mol
SMILES CCOc1ccc(cc1)C(=O)c1sc(cc1-c1ccc(C#N)cc1)-c1ccc(OCC)cc1
SPLASH splash10-0udi-0201900000-c77d3f08a7ec35684106
Source of Spectrum JX-2015-4-642
Synonyms 4-(2-(4-ethoxybenzoyl)-5-(4-ethoxyphenyl)thiophen-3-yl)benzonitrile 4-[2-(4-ethoxybenzoyl)-5-(4-ethoxyphenyl)thiophen-3-yl]benzonitrile 4-[5-(4-ethoxyphenyl)-2-[(4-ethoxyphenyl)-oxomethyl]-3-thiophenyl]benzonitrile 4-[2-(4-ethoxybenzoyl)-5-(4-ethoxyphenyl)-3-thienyl]benzonitrile 4-[5-(4-ethoxyphenyl)-2-(4-ethoxyphenyl)carbonyl-thiophen-3-yl]benzenecarbonitrile
Wiley ID 1726066