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1,1'-[o-(Trifluoromethyl)benzylidene]di-2-naphthol

View entire compound with spectra: 2 NMR, and 1 FTIR

1,1'-[o-(Trifluoromethyl)benzylidene]di-2-naphthol
SpectraBase Compound ID Fdcf9PGonNJ
InChI InChI=1S/C28H19F3O2/c29-28(30,31)22-12-6-5-11-21(22)27(25-19-9-3-1-7-17(19)13-15-23(25)32)26-20-10-4-2-8-18(20)14-16-24(26)33/h1-16,27,32-33H
InChIKey DVEQCWFUBXEDRO-UHFFFAOYSA-N
Mol Weight 444.45 g/mol
Molecular Formula C28H19F3O2
Exact Mass 444.133714 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EkBD3KK7cXQ
Name 1,1'-[o-(Trifluoromethyl)benzylidene]di-2-naphthol
Comments Computed using HOSE algorithm
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Exact Mass 444.133714339 u
Formula C28H19F3O2
InChI InChI=1S/C28H19F3O2/c29-28(30,31)22-12-6-5-11-21(22)27(25-19-9-3-1-7-17(19)13-15-23(25)32)26-20-10-4-2-8-18(20)14-16-24(26)33/h1-16,27,32-33H
InChIKey DVEQCWFUBXEDRO-UHFFFAOYSA-N
Molecular Weight 444.453 g/mol
SMILES OC=1C=CC2=C(C1C(C=1C=CC=CC1C(F)(F)F)C1=C(C=CC=3C=CC=CC13)O)C=CC=C2