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

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1,7-Bis(4-benzyloxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione
SpectraBase Compound ID IZ2hWL6Ai9g
InChI InChI=1S/C35H32O6/c1-38-34-21-26(15-19-32(34)40-24-28-9-5-3-6-10-28)13-17-30(36)23-31(37)18-14-27-16-20-33(35(22-27)39-2)41-25-29-11-7-4-8-12-29/h3-22H,23-25H2,1-2H3/b17-13+,18-14+
InChIKey IFXFMROWOXSXSM-HBKJEHTGSA-N
Mol Weight 548.6 g/mol
Molecular Formula C35H32O6
Exact Mass 548.219889 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8Gh21ZzSizx
Name 1,7-bis(4-Benzyloxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 548.219888744 u
Formula C35H32O6
InChI InChI=1S/C35H32O6/c1-38-34-21-26(15-19-32(34)40-24-28-9-5-3-6-10-28)13-17-30(36)23-31(37)18-14-27-16-20-33(35(22-27)39-2)41-25-29-11-7-4-8-12-29/h3-22H,23-25H2,1-2H3/b17-13+,18-14+
InChIKey IFXFMROWOXSXSM-HBKJEHTGSA-N
Molecular Weight 548.635 g/mol
SMILES C=1(C(OCC2=CC=CC=C2)=CC=C(\C=C\C(CC(\C=C\C=2C=C(OC)C(=CC2)OCC=2C=CC=CC2)=O)=O)C1)OC