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4-[1-[4-(4-ethynylphenoxy)phenyl]-2,2,2-trifluoro-1-(4-hydroxyphenyl)ethyl]phenol
SpectraBase Compound ID HSDLE1LBxRE
InChI InChI=1S/C28H19F3O3/c1-2-19-3-15-25(16-4-19)34-26-17-9-22(10-18-26)27(28(29,30)31,20-5-11-23(32)12-6-20)21-7-13-24(33)14-8-21/h1,3-18,32-33H
InChIKey GZCKHDMBJALPJQ-UHFFFAOYSA-N
Mol Weight 460.45 g/mol
Molecular Formula C28H19F3O3
Exact Mass 460.128629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AesRdEKTYRL
Name 4-[1-[4-(4-ethynylphenoxy)phenyl]-2,2,2-trifluoro-1-(4-hydroxyphenyl)ethyl]phenol
Alternate Name(s) 4-[1-[4-(4-ethynylphenoxy)phenyl]-2,2,2-tris(fluoranyl)-1-(4-hydroxyphenyl)ethyl]phenol
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Formula C28H19F3O3
InChI InChI=1S/C28H19F3O3/c1-2-19-3-15-25(16-4-19)34-26-17-9-22(10-18-26)27(28(29,30)31,20-5-11-23(32)12-6-20)21-7-13-24(33)14-8-21/h1,3-18,32-33H
InChIKey GZCKHDMBJALPJQ-UHFFFAOYSA-N
Molecular Weight 460.452 g/mol
SMILES Oc1ccc(C(c2ccc(cc2)O)(C(F)(F)F)c2ccc(Oc3ccc(C#C)cc3)cc2)cc1
SPLASH splash10-01ox-0009400000-6932c1caa5b3f784bdeb
Source of Spectrum J-59-2510-18
Wiley ID 1390574