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Phthalic acid, 3,5-difluorophenyl isohexyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 3,5-difluorophenyl isohexyl ester
SpectraBase Compound ID EnYYDPy7TU7
InChI InChI=1S/C20H20F2O4/c1-13(2)6-5-9-25-19(23)17-7-3-4-8-18(17)20(24)26-16-11-14(21)10-15(22)12-16/h3-4,7-8,10-13H,5-6,9H2,1-2H3
InChIKey IFRADJKNLXQEKI-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 9aMWKvUrvo1
Name Phthalic 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)6-5-9-25-19(23)17-7-3-4-8-18(17)20(24)26-16-11-14(21)10-15(22)12-16/h3-4,7-8,10-13H,5-6,9H2,1-2H3
InChIKey IFRADJKNLXQEKI-UHFFFAOYSA-N
Molecular Weight 362.373 g/mol
SMILES C1=C(C=C(C=C1F)F)OC(C1=C(C=CC=C1)C(=O)OCCCC(C)C)=O