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1,7-Bis(4-benzoxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione
SpectraBase Compound ID DeDpsHUDCQT
InChI InChI=1S/C35H28O8/c1-40-32-21-24(15-19-30(32)42-34(38)26-9-5-3-6-10-26)13-17-28(36)23-29(37)18-14-25-16-20-31(33(22-25)41-2)43-35(39)27-11-7-4-8-12-27/h3-22H,23H2,1-2H3/b17-13+,18-14+
InChIKey TVDFVAPAHXSPDG-HBKJEHTGSA-N
Mol Weight 576.6 g/mol
Molecular Formula C35H28O8
Exact Mass 576.178418 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID hmdwekzOCc
Name 1,7-Bis(4-benzoxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H28O8
InChI InChI=1S/C35H28O8/c1-40-32-21-24(15-19-30(32)42-34(38)26-9-5-3-6-10-26)13-17-28(36)23-29(37)18-14-25-16-20-31(33(22-25)41-2)43-35(39)27-11-7-4-8-12-27/h3-22H,23H2,1-2H3/b17-13+,18-14+
InChIKey TVDFVAPAHXSPDG-HBKJEHTGSA-N
Molecular Weight 576.601 g/mol
SMILES C(Oc1c(cc(\C=C\C(CC(\C=C\c2cc(OC)c(OC(=O)c3ccccc3)cc2)=O)=O)cc1)OC)(=O)c1ccccc1
SPLASH splash10-154i-0529060000-6fbd5cbace674b905d44
Source of Spectrum QB-21-86-8
Synonyms benzoic acid [4-[(1E,6E)-7-(4-benzoyloxy-3-methoxyphenyl)-3,5-dioxohepta-1,6-dienyl]-2-methoxyphenyl] ester [4-[(1E,6E)-7-(4-benzoyloxy-3-methoxyphenyl)-3,5-dioxohepta-1,6-dienyl]-2-methoxyphenyl] benzoate [4-[(1E,6E)-7-(4-benzoyloxy-3-methoxy-phenyl)-3,5-dioxo-hepta-1,6-dienyl]-2-methoxy-phenyl] benzoate [2-methoxy-4-[(1E,6E)-7-[3-methoxy-4-(phenylcarbonyloxy)phenyl]-3,5-bis(oxidanylidene)hepta-1,6-dienyl]phenyl] benzoate
Wiley ID 860508