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5'-[4"-(Trifluoromethyl)phenyl]-1,7-bis(4'-hydroxy-3'-methoxyphenyl)-1,6-heptadiene-3,5-dione
SpectraBase Compound ID Cfq5N6d4YmN
InChI InChI=1S/C28H23F3O6/c1-36-25-14-17(5-12-24(25)34)3-10-21(32)16-22(33)11-4-18-13-23(27(35)26(15-18)37-2)19-6-8-20(9-7-19)28(29,30)31/h3-15,34-35H,16H2,1-2H3/b10-3+,11-4+
InChIKey VANFEWVOZIGBNR-HULALXFYSA-N
Mol Weight 512.48 g/mol
Molecular Formula C28H23F3O6
Exact Mass 512.144673 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Z2puihYUtx
Name 5'-[4"-(Trifluoromethyl)phenyl]-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 C28H23F3O6
InChI InChI=1S/C28H23F3O6/c1-36-25-14-17(5-12-24(25)34)3-10-21(32)16-22(33)11-4-18-13-23(27(35)26(15-18)37-2)19-6-8-20(9-7-19)28(29,30)31/h3-15,34-35H,16H2,1-2H3/b10-3+,11-4+
InChIKey VANFEWVOZIGBNR-HULALXFYSA-N
Molecular Weight 512.481 g/mol
SMILES Oc1c(cc(\C=C\C(CC(\C=C\c2cc(c(c(c2)OC)O)-c2ccc(C(F)(F)F)cc2)=O)=O)cc1)OC
SPLASH splash10-00di-0971000000-a623e7016a9bdd1e1904
Source of Spectrum O-33-321-13
Wiley ID 763171