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Phthalic acid, 3,5-difluorophenyl octyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 3,5-difluorophenyl octyl ester
SpectraBase Compound ID 5K9D8JXYzp3
InChI InChI=1S/C22H24F2O4/c1-2-3-4-5-6-9-12-27-21(25)19-10-7-8-11-20(19)22(26)28-18-14-16(23)13-17(24)15-18/h7-8,10-11,13-15H,2-6,9,12H2,1H3
InChIKey VSTMJJZUTOYIKK-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 PAJMsnpUi0
Name Phthalic acid, 3,5-difluorophenyl octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 390.164265575 u
Formula C22H24F2O4
InChI InChI=1S/C22H24F2O4/c1-2-3-4-5-6-9-12-27-21(25)19-10-7-8-11-20(19)22(26)28-18-14-16(23)13-17(24)15-18/h7-8,10-11,13-15H,2-6,9,12H2,1H3
InChIKey VSTMJJZUTOYIKK-UHFFFAOYSA-N
Molecular Weight 390.427 g/mol
SMILES CCCCCCCCOC(C1=C(C(OC2=CC(=CC(=C2)F)F)=O)C=CC=C1)=O