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

View entire compound with spectra: 1 NMR

Phthalic acid, 1-(2,6-difluorophenyl)ethyl heptyl ester
SpectraBase Compound ID AmZVuIDffE2
InChI InChI=1S/C23H26F2O4/c1-3-4-5-6-9-15-28-22(26)17-11-7-8-12-18(17)23(27)29-16(2)21-19(24)13-10-14-20(21)25/h7-8,10-14,16H,3-6,9,15H2,1-2H3
InChIKey WBSDWFTXCWYSGS-UHFFFAOYSA-N
Mol Weight 404.45 g/mol
Molecular Formula C23H26F2O4
Exact Mass 404.179916 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1gfX0hF8gkm
Name Phthalic acid, 1-(2,6-difluorophenyl)ethyl heptyl ester
Comments Computed using HOSE algorithm
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Exact Mass 404.179915639 u
Formula C23H26F2O4
InChI InChI=1S/C23H26F2O4/c1-3-4-5-6-9-15-28-22(26)17-11-7-8-12-18(17)23(27)29-16(2)21-19(24)13-10-14-20(21)25/h7-8,10-14,16H,3-6,9,15H2,1-2H3
InChIKey WBSDWFTXCWYSGS-UHFFFAOYSA-N
Molecular Weight 404.454 g/mol
SMILES C(C1=CC=CC=C1C(=O)OC(C)C1=C(C=CC=C1F)F)(OCCCCCCC)=O