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1,7-Bis(4-benzyloxy-3-methoxyphenyl)-4-benzyl-1,6-heptadiene-3,5-dione

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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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 43q5Yl8ZCgm
Name 1,7-bis(4-Benzyloxy-3-methoxyphenyl)-4-benzyl-1,6-heptadiene-3,5-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 638.266838938 u
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\C=1C=C(OC)C(=CC1)OCC1=CC=CC=C1)=O)(C(\C=C\C=1C=C(OC)C(=CC1)OCC=1C=CC=CC1)=O)CC=1C=CC=CC1