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1,7-Bis(4-benzoyloxy-3-methoxyphenyl)-4-benzoyl-1,6-heptadiene-3,5-dione
SpectraBase Compound ID 9YwrXaUN6qX
InChI InChI=1S/C42H32O9/c1-48-37-26-28(20-24-35(37)50-41(46)31-14-8-4-9-15-31)18-22-33(43)39(40(45)30-12-6-3-7-13-30)34(44)23-19-29-21-25-36(38(27-29)49-2)51-42(47)32-16-10-5-11-17-32/h3-27,39H,1-2H3/b22-18+,23-19+
InChIKey MXUVCGOXNAPTGZ-DPIBHUQISA-N
Mol Weight 680.7 g/mol
Molecular Formula C42H32O9
Exact Mass 680.204633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4ilQ4LODeC
Name 1,7-Bis(4-benzoyloxy-3-methoxyphenyl)-4-benzoyl-1,6-heptadiene-3,5-dione
Alternate Name(s) 1,7-Bis(4-benzoxy-3-methoxyphenyl)-4-benzoyl-1,6-heptadiene-3,5-dione 4-{(1E,6E)-4-benzoyl-7-[4-(benzoyloxy)-3-methoxyphenyl]-3,5-dioxo-1,6-heptadienyl}-2-methoxyphenyl benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C42H32O9
InChI InChI=1S/C42H32O9/c1-48-37-26-28(20-24-35(37)50-41(46)31-14-8-4-9-15-31)18-22-33(43)39(40(45)30-12-6-3-7-13-30)34(44)23-19-29-21-25-36(38(27-29)49-2)51-42(47)32-16-10-5-11-17-32/h3-27,39H,1-2H3/b22-18+,23-19+
InChIKey MXUVCGOXNAPTGZ-DPIBHUQISA-N
Molecular Weight 680.709 g/mol
SMILES C(C(=O)c1ccccc1)(C(\C=C\c1cc(OC)c(OC(=O)c2ccccc2)cc1)=O)C(\C=C\c1cc(OC)c(OC(=O)c2ccccc2)cc1)=O
SPLASH splash10-053r-0720609000-91ad8bbbdcac08482d46
Source of Spectrum QB-21-86-9
Wiley ID 860507