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Benzyl 3-(bis(4-fluorophenyl)methyl)-6-hydroxy-2,4-dimethylbenzoate

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Benzyl 3-(bis(4-fluorophenyl)methyl)-6-hydroxy-2,4-dimethylbenzoate
SpectraBase Compound ID 1CsFs0b4jNk
InChI InChI=1S/C29H24F2O3/c1-18-16-25(32)27(29(33)34-17-20-6-4-3-5-7-20)19(2)26(18)28(21-8-12-23(30)13-9-21)22-10-14-24(31)15-11-22/h3-16,28,32H,17H2,1-2H3
InChIKey MMFOFZURJMYJNH-UHFFFAOYSA-N
Mol Weight 458.5 g/mol
Molecular Formula C29H24F2O3
Exact Mass 458.169351 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 34lQtBOa9Bk
Name Benzyl 3-(bis(4-fluorophenyl)methyl)-6-hydroxy-2,4-dimethylbenzoate
Comments Computed using HOSE algorithm
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Exact Mass 458.169350956 u
Formula C29H24F2O3
InChI InChI=1S/C29H24F2O3/c1-18-16-25(32)27(29(33)34-17-20-6-4-3-5-7-20)19(2)26(18)28(21-8-12-23(30)13-9-21)22-10-14-24(31)15-11-22/h3-16,28,32H,17H2,1-2H3
InChIKey MMFOFZURJMYJNH-UHFFFAOYSA-N
Molecular Weight 458.505 g/mol
SMILES C=1(C(=C(C(C2=CC=C(C=C2)F)C=2C=CC(=CC2)F)C(=CC1O)C)C)C(OCC=1C=CC=CC1)=O