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(E)-2,4-dimethoxycinnamic Acid Ethyl Ester Trimer
SpectraBase Compound ID IQjq27ytDUO
InChI InChI=1S/C39H48O12/c1-10-49-32(40)22-20-24-27(43-4)21-19-25(38(24)48-9)35(37-30(46-7)17-14-18-31(37)47-8)36(39(42)51-12-3)26(23-33(41)50-11-2)34-28(44-5)15-13-16-29(34)45-6/h13-22,26,35-36H,10-12,23H2,1-9H3/b22-20+
InChIKey REFSMJDCIKBBIB-LSDHQDQOSA-N
Mol Weight 708.8 g/mol
Molecular Formula C39H48O12
Exact Mass 708.314577 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9ckcY0sVmIU
Name (E)-2,4-dimethoxycinnamic Acid Ethyl Ester Trimer
Alternate Name(s) 3-(2,6-Dimethoxy-phenyl)-2-{(2,6-dimethoxy-phenyl)-[3-((E)-2-ethoxycarbonyl-vinyl)-2,4-dimethoxy-phenyl]-methyl}-pentanedioic acid diethyl ester Tris(ethyl (2E)-3-(2,4-dimethoxyphenyl)prop-2-enoate)
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Formula C39H48O12
InChI InChI=1S/C39H48O12/c1-10-49-32(40)22-20-24-27(43-4)21-19-25(38(24)48-9)35(37-30(46-7)17-14-18-31(37)47-8)36(39(42)51-12-3)26(23-33(41)50-11-2)34-28(44-5)15-13-16-29(34)45-6/h13-22,26,35-36H,10-12,23H2,1-9H3/b22-20+
InChIKey REFSMJDCIKBBIB-LSDHQDQOSA-N
Molecular Weight 708.801 g/mol
SMILES C(c1c(c(\C=C\C(=O)OCC)c(cc1)OC)OC)(C(C(c1c(OC)cccc1OC)CC(=O)OCC)C(=O)OCC)c1c(OC)cccc1OC
SPLASH splash10-0f80-0926308300-9fe461ae69b7283309b3
Source of Spectrum J-60-3662-10
Wiley ID 1415275