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1,7-Bis(4-benzyloxy-3-methoxyphenyl)-4-benzyl-1,6-heptadiene-3,5-dione
SpectraBase Compound ID 5rW3OyTNS4m
InChI InChI=1S/C42H38O6/c1-45-41-27-32(20-24-39(41)47-29-34-14-8-4-9-15-34)18-22-37(43)36(26-31-12-6-3-7-13-31)38(44)23-19-33-21-25-40(42(28-33)46-2)48-30-35-16-10-5-11-17-35/h3-25,27-28,36H,26,29-30H2,1-2H3/b22-18+,23-19+
InChIKey MAMVSAIRUUTENZ-DPIBHUQISA-N
Mol Weight 638.8 g/mol
Molecular Formula C42H38O6
Exact Mass 638.266839 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID elEsSDwXLo
Name 1,7-Bis(4-benzyloxy-3-methoxyphenyl)-4-benzyl-1,6-heptadiene-3,5-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C42H38O6
InChI InChI=1S/C42H38O6/c1-45-41-27-32(20-24-39(41)47-29-34-14-8-4-9-15-34)18-22-37(43)36(26-31-12-6-3-7-13-31)38(44)23-19-33-21-25-40(42(28-33)46-2)48-30-35-16-10-5-11-17-35/h3-25,27-28,36H,26,29-30H2,1-2H3/b22-18+,23-19+
InChIKey MAMVSAIRUUTENZ-DPIBHUQISA-N
Molecular Weight 638.760 g/mol
SMILES C(C(\C=C\c1cc(OC)c(cc1)OCc1ccccc1)=O)(C(\C=C\c1cc(OC)c(cc1)OCc1ccccc1)=O)Cc1ccccc1
SPLASH splash10-000l-5000009000-1c0e2f3779ca4912f4c6
Source of Spectrum QB-21-85-6
Synonyms (1E,6E)-4-benzyl-1,7-bis[4-(benzyloxy)-3-methoxyphenyl]-1,6-heptadiene-3,5-dione
Wiley ID 860510