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Isophthalic acid, 3,5-difluorophenyl hexyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, 3,5-difluorophenyl hexyl ester
SpectraBase Compound ID AboUczt9BOQ
InChI InChI=1S/C20H20F2O4/c1-2-3-4-5-9-25-19(23)14-7-6-8-15(10-14)20(24)26-18-12-16(21)11-17(22)13-18/h6-8,10-13H,2-5,9H2,1H3
InChIKey URAPRRYAWXICIE-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 2V9OxHnsNME
Name Isophthalic 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/c1-2-3-4-5-9-25-19(23)14-7-6-8-15(10-14)20(24)26-18-12-16(21)11-17(22)13-18/h6-8,10-13H,2-5,9H2,1H3
InChIKey URAPRRYAWXICIE-UHFFFAOYSA-N
Molecular Weight 362.373 g/mol
SMILES C1=C(C=C(C=C1F)F)OC(C1=CC(=CC=C1)C(OCCCCCC)=O)=O