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(2R)-3-(3,4-diacetoxyphenyl)-2-[(E)-3-(3,4-diacetoxyphenyl)acryloyl]oxy-propionic acid methyl ester
SpectraBase Compound ID 7SuCuebqOwx
InChI InChI=1S/C27H26O12/c1-15(28)35-21-9-6-19(12-23(21)37-17(3)30)8-11-26(32)39-25(27(33)34-5)14-20-7-10-22(36-16(2)29)24(13-20)38-18(4)31/h6-13,25H,14H2,1-5H3/b11-8+/t25-/m1/s1
InChIKey FMWPITULLNHVNQ-FPVCCHAOSA-N
Mol Weight 542.49 g/mol
Molecular Formula C27H26O12
Exact Mass 542.142426 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2XONFUXopc
Name (2R)-3-(3,4-diacetoxyphenyl)-2-[(E)-3-(3,4-diacetoxyphenyl)acryloyl]oxy-propionic acid methyl ester
Alternate Name(s) (2R)-3-(3,4-diacetyloxyphenyl)-2-[(E)-3-(3,4-diacetyloxyphenyl)-1-oxoprop-2-enoxy]propanoic acid methyl ester Methyl (2R)-3-(3,4-diacetoxyphenyl)-2-[(E)-3-(3,4-diacetoxyphenyl)prop-2-enoyl]oxy-propanoate Methyl (2R)-3-(3,4-diacetyloxyphenyl)-2-[(E)-3-(3,4-diacetyloxyphenyl)prop-2-enoyl]oxy-propanoate
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Formula C27H26O12
InChI InChI=1S/C27H26O12/c1-15(28)35-21-9-6-19(12-23(21)37-17(3)30)8-11-26(32)39-25(27(33)34-5)14-20-7-10-22(36-16(2)29)24(13-20)38-18(4)31/h6-13,25H,14H2,1-5H3/b11-8+/t25-/m1/s1
InChIKey FMWPITULLNHVNQ-FPVCCHAOSA-N
Molecular Weight 542.493 g/mol
SMILES c1(c(OC(=O)C)ccc(C[C@](C(=O)OC)(OC(\C=C\c2cc(OC(=O)C)c(cc2)OC(=O)C)=O)[H])c1)OC(=O)C
SPLASH splash10-004j-7090010000-799fccbd96b7e7697f67
Source of Spectrum AH-128-1007-11
Wiley ID 1404815