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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IToLBSwfned
Name 5'-(4"-Fluorophenyl)-1,7-bis(4'-hydroxy-3'-methoxyphenyl)-1,6-heptadiene-3,5-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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 Oc1c(cc(\C=C\C(CC(\C=C\c2cc(c(c(c2)OC)O)-c2ccc(cc2)F)=O)=O)cc1)OC
SPLASH splash10-004i-0910000000-08bae294a3a3ab254056
Source of Spectrum O-33-321-11
Wiley ID 763173