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Terephthalic acid, 3,5-difluorophenyl isohexyl ester

View entire compound with spectra: 1 NMR

Terephthalic acid, 3,5-difluorophenyl isohexyl ester
SpectraBase Compound ID 1Q8t9ObTAvb
InChI InChI=1S/C20H20F2O4/c1-13(2)4-3-9-25-19(23)14-5-7-15(8-6-14)20(24)26-18-11-16(21)10-17(22)12-18/h5-8,10-13H,3-4,9H2,1-2H3
InChIKey XWXFSFNDGYENTI-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 JzGPUaL1Ifr
Name Terephthalic acid, 3,5-difluorophenyl isohexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 362.132965446 u
Formula C20H20F2O4
InChI InChI=1S/C20H20F2O4/c1-13(2)4-3-9-25-19(23)14-5-7-15(8-6-14)20(24)26-18-11-16(21)10-17(22)12-18/h5-8,10-13H,3-4,9H2,1-2H3
InChIKey XWXFSFNDGYENTI-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)CCC(C)C