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

View entire compound with spectra: 1 NMR

Phthalic acid, 1-(2,6-difluorophenyl)ethyl undecyl ester
SpectraBase Compound ID 4iJbChU3Thc
InChI InChI=1S/C27H34F2O4/c1-3-4-5-6-7-8-9-10-13-19-32-26(30)21-15-11-12-16-22(21)27(31)33-20(2)25-23(28)17-14-18-24(25)29/h11-12,14-18,20H,3-10,13,19H2,1-2H3
InChIKey CGSKBXNSKXAQIL-UHFFFAOYSA-N
Mol Weight 460.6 g/mol
Molecular Formula C27H34F2O4
Exact Mass 460.242516 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4ipCX1m14F9
Name Phthalic acid, 1-(2,6-difluorophenyl)ethyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 460.242515897 u
Formula C27H34F2O4
InChI InChI=1S/C27H34F2O4/c1-3-4-5-6-7-8-9-10-13-19-32-26(30)21-15-11-12-16-22(21)27(31)33-20(2)25-23(28)17-14-18-24(25)29/h11-12,14-18,20H,3-10,13,19H2,1-2H3
InChIKey CGSKBXNSKXAQIL-UHFFFAOYSA-N
Molecular Weight 460.562 g/mol
SMILES C(C1=CC=CC=C1C(=O)OC(C)C1=C(C=CC=C1F)F)(OCCCCCCCCCCC)=O