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Phthalic acid, 1-(2,6-difluorophenyl)ethyl hexyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 1-(2,6-difluorophenyl)ethyl hexyl ester
SpectraBase Compound ID KjOsAieQTVX
InChI InChI=1S/C22H24F2O4/c1-3-4-5-8-14-27-21(25)16-10-6-7-11-17(16)22(26)28-15(2)20-18(23)12-9-13-19(20)24/h6-7,9-13,15H,3-5,8,14H2,1-2H3
InChIKey PIHPZRHOFCPCCY-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 2gmaCB5jZmw
Name Phthalic acid, 1-(2,6-difluorophenyl)ethyl hexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 390.164265575 u
Formula C22H24F2O4
InChI InChI=1S/C22H24F2O4/c1-3-4-5-8-14-27-21(25)16-10-6-7-11-17(16)22(26)28-15(2)20-18(23)12-9-13-19(20)24/h6-7,9-13,15H,3-5,8,14H2,1-2H3
InChIKey PIHPZRHOFCPCCY-UHFFFAOYSA-N
Molecular Weight 390.427 g/mol
SMILES C(C1=CC=CC=C1C(=O)OC(C)C1=C(C=CC=C1F)F)(OCCCCCC)=O