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Phthalic acid, 3,4-difluorobenzyl pentyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 3,4-difluorobenzyl pentyl ester
SpectraBase Compound ID BB6dZOOxzFn
InChI InChI=1S/C20H20F2O4/c1-2-3-6-11-25-19(23)15-7-4-5-8-16(15)20(24)26-13-14-9-10-17(21)18(22)12-14/h4-5,7-10,12H,2-3,6,11,13H2,1H3
InChIKey YWQHGYFZODMOLJ-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 BzwG29nNumU
Name Phthalic acid, 3,4-difluorobenzyl pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 362.132965446 u
Formula C20H20F2O4
InChI InChI=1S/C20H20F2O4/c1-2-3-6-11-25-19(23)15-7-4-5-8-16(15)20(24)26-13-14-9-10-17(21)18(22)12-14/h4-5,7-10,12H,2-3,6,11,13H2,1H3
InChIKey YWQHGYFZODMOLJ-UHFFFAOYSA-N
Molecular Weight 362.373 g/mol
SMILES C1=CC=CC(=C1C(OCCCCC)=O)C(OCC1=CC=C(C(=C1)F)F)=O