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Phthalic acid, 3,5-difluorophenyl hexyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 3,5-difluorophenyl hexyl ester
SpectraBase Compound ID KSYeHZlzqHz
InChI InChI=1S/C20H20F2O4/c1-2-3-4-7-10-25-19(23)17-8-5-6-9-18(17)20(24)26-16-12-14(21)11-15(22)13-16/h5-6,8-9,11-13H,2-4,7,10H2,1H3
InChIKey ATDKHVGEIGXVDD-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 DVcsfzEjmcR
Name Phthalic 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/c1-2-3-4-7-10-25-19(23)17-8-5-6-9-18(17)20(24)26-16-12-14(21)11-15(22)13-16/h5-6,8-9,11-13H,2-4,7,10H2,1H3
InChIKey ATDKHVGEIGXVDD-UHFFFAOYSA-N
Molecular Weight 362.373 g/mol
SMILES C1(=CC(=CC(=C1)F)F)OC(C1=C(C=CC=C1)C(=O)OCCCCCC)=O