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1,7-bis(5'-Benzyl-4'-hydroxy-3'-methoxyphenyl)-1,6-heptadiene-3,5-dione

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1,7-bis(5'-Benzyl-4'-hydroxy-3'-methoxyphenyl)-1,6-heptadiene-3,5-dione
SpectraBase Compound ID 284Tw4F1npR
InChI InChI=1S/C28H26O6/c1-33-26-16-20(10-13-25(26)31)8-11-23(29)18-24(30)12-9-21-15-22(28(32)27(17-21)34-2)14-19-6-4-3-5-7-19/h3-13,15-17,31-32H,14,18H2,1-2H3/b11-8+,12-9+
InChIKey ILWFIJIATHWLDK-HZOWPXDZSA-N
Mol Weight 458.51 g/mol
Molecular Formula C28H26O6
Exact Mass 458.172939 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2VIvXbCe2qA
Name 1,7-bis(5'-Benzyl-4'-hydroxy-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 458.172938551 u
Formula C28H26O6
InChI InChI=1S/C28H26O6/c1-33-26-16-20(10-13-25(26)31)8-11-23(29)18-24(30)12-9-21-15-22(28(32)27(17-21)34-2)14-19-6-4-3-5-7-19/h3-13,15-17,31-32H,14,18H2,1-2H3/b11-8+,12-9+
InChIKey ILWFIJIATHWLDK-HZOWPXDZSA-N
Molecular Weight 458.510 g/mol
SMILES C1(=C(C(OC)=CC(\C=C\C(CC(\C=C\C=2C=C(OC)C(=CC2)O)=O)=O)=C1)O)CC=1C=CC=CC1