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

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5'-(4''-Fluorophenyl)-1,7-bis(4'-hydroxy-3'-methoxyphenyl)-1,6-heptadiene-3,5-dione
SpectraBase Compound ID 90TrCStdGUB
InChI InChI=1S/C27H23FO6/c1-33-25-14-17(5-12-24(25)31)3-10-21(29)16-22(30)11-4-18-13-23(27(32)26(15-18)34-2)19-6-8-20(28)9-7-19/h3-15,31-32H,16H2,1-2H3/b10-3+,11-4+
InChIKey NTUSGGNYLOHSPX-HULALXFYSA-N
Mol Weight 462.47 g/mol
Molecular Formula C27H23FO6
Exact Mass 462.147867 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G7vn061dOvs
Name 5'-(4''-Fluorophenyl)-1,7-bis(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 462.147866618 u
Formula C27H23FO6
InChI InChI=1S/C27H23FO6/c1-33-25-14-17(5-12-24(25)31)3-10-21(29)16-22(30)11-4-18-13-23(27(32)26(15-18)34-2)19-6-8-20(28)9-7-19/h3-15,31-32H,16H2,1-2H3/b10-3+,11-4+
InChIKey NTUSGGNYLOHSPX-HULALXFYSA-N
Molecular Weight 462.473 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)C=1C=CC(=CC1)F