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Phthalic acid, 3,5-difluorophenyl 2-ethylhexyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 3,5-difluorophenyl 2-ethylhexyl ester
SpectraBase Compound ID LhM3arX8zg1
InChI InChI=1S/C22H24F2O4/c1-3-5-8-15(4-2)14-27-21(25)19-9-6-7-10-20(19)22(26)28-18-12-16(23)11-17(24)13-18/h6-7,9-13,15H,3-5,8,14H2,1-2H3
InChIKey BONKWLPSJZPNNP-UHFFFAOYSA-N
Mol Weight 390.43 g/mol
Molecular Formula C22H24F2O4
Exact Mass 390.164266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HLvl73axirA
Name Phthalic acid, 3,5-difluorophenyl 2-ethylhexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 390.164265575 u
Formula C22H24F2O4
InChI InChI=1S/C22H24F2O4/c1-3-5-8-15(4-2)14-27-21(25)19-9-6-7-10-20(19)22(26)28-18-12-16(23)11-17(24)13-18/h6-7,9-13,15H,3-5,8,14H2,1-2H3
InChIKey BONKWLPSJZPNNP-UHFFFAOYSA-N
Molecular Weight 390.427 g/mol
SMILES C(OCC(CC)CCCC)(=O)C1=C(C=CC=C1)C(OC1=CC(=CC(=C1)F)F)=O