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3-[2-(3-carbethoxyphenyl)ethynyl]benzoic acid ethyl ester
SpectraBase Compound ID DIklNbEUKCI
InChI InChI=1S/C20H18O4/c1-3-23-19(21)17-9-5-7-15(13-17)11-12-16-8-6-10-18(14-16)20(22)24-4-2/h5-10,13-14H,3-4H2,1-2H3
InChIKey GSXMUTSXSRPFCK-UHFFFAOYSA-N
Mol Weight 322.36 g/mol
Molecular Formula C20H18O4
Exact Mass 322.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ApbvYFLrC2H
Name 3-[2-(3-carbethoxyphenyl)ethynyl]benzoic acid ethyl ester
Alternate Name(s) 3-[2-(3-ethoxycarbonylphenyl)ethynyl]benzoic acid ethyl ester Ethyl 3-[2-(3-ethoxycarbonylphenyl)ethynyl]benzoate
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Formula C20H18O4
InChI InChI=1S/C20H18O4/c1-3-23-19(21)17-9-5-7-15(13-17)11-12-16-8-6-10-18(14-16)20(22)24-4-2/h5-10,13-14H,3-4H2,1-2H3
InChIKey GSXMUTSXSRPFCK-UHFFFAOYSA-N
Molecular Weight 322.360 g/mol
SMILES C(#Cc1cc(C(=O)OCC)ccc1)c1cc(C(=O)OCC)ccc1
SPLASH splash10-00fr-0569000000-38da9b46895e76c97efc
Source of Spectrum O1-31-1375-10
Wiley ID 818868