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methyl 2-hydroxy-4-[4-(3-hydroxy-4-methoxycarbonyl-phenyl)buta-1,3-diynyl]benzoate
SpectraBase Compound ID AMDRzCKBTqy
InChI InChI=1S/C20H14O6/c1-25-19(23)15-9-7-13(11-17(15)21)5-3-4-6-14-8-10-16(18(22)12-14)20(24)26-2/h7-12,21-22H,1-2H3
InChIKey XWHYRORYKPCBLY-UHFFFAOYSA-N
Mol Weight 350.33 g/mol
Molecular Formula C20H14O6
Exact Mass 350.079038 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7BmdmBmXejF
Name methyl 2-hydroxy-4-[4-(3-hydroxy-4-methoxycarbonyl-phenyl)buta-1,3-diynyl]benzoate
Appearance Off white solid
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Exact Mass 350.079038165 u
Formula C20H14O6
InChI InChI=1S/C20H14O6/c1-25-19(23)15-9-7-13(11-17(15)21)5-3-4-6-14-8-10-16(18(22)12-14)20(24)26-2/h7-12,21-22H,1-2H3
InChIKey XWHYRORYKPCBLY-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Molecular Weight 350.326 g/mol
Quality 310
SMILES OC=1C(=CC=C(C#CC#CC2=CC(=C(C=C2)C(OC)=O)O)C1)C(=O)OC
SPLASH splash10-0uy0-0349000000-7a0730e69e2d45bc76f6
Source of Spectrum WO2014045135A1
Wiley ID 1892609