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Terephthalic acid, 3,5-difluorophenyl hexyl ester

View entire compound with spectra: 1 NMR

Terephthalic acid, 3,5-difluorophenyl hexyl ester
SpectraBase Compound ID Jm67MHhCEK7
InChI InChI=1S/C20H20F2O4/c1-2-3-4-5-10-25-19(23)14-6-8-15(9-7-14)20(24)26-18-12-16(21)11-17(22)13-18/h6-9,11-13H,2-5,10H2,1H3
InChIKey NHSZOYWCEBSYPO-UHFFFAOYSA-N
Mol Weight 362.37 g/mol
Molecular Formula C20H20F2O4
Exact Mass 362.132965 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3BiJCYvRYZJ
Name Terephthalic acid, 3,5-difluorophenyl hexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 362.132965446 u
Formula C20H20F2O4
InChI InChI=1S/C20H20F2O4/c1-2-3-4-5-10-25-19(23)14-6-8-15(9-7-14)20(24)26-18-12-16(21)11-17(22)13-18/h6-9,11-13H,2-5,10H2,1H3
InChIKey NHSZOYWCEBSYPO-UHFFFAOYSA-N
Molecular Weight 362.373 g/mol
SMILES C(OC(=O)C1=CC=C(C=C1)C(=O)OC1=CC(=CC(=C1)F)F)CCCCC