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Phthalic acid, 2,5-difluorobenzyl octyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2,5-difluorobenzyl octyl ester
SpectraBase Compound ID Aon0OyhPVYP
InChI InChI=1S/C23H26F2O4/c1-2-3-4-5-6-9-14-28-22(26)19-10-7-8-11-20(19)23(27)29-16-17-15-18(24)12-13-21(17)25/h7-8,10-13,15H,2-6,9,14,16H2,1H3
InChIKey PSAZRJHLEVHEQF-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 IIEfH9cajYi
Name Phthalic acid, 2,5-difluorobenzyl octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 404.179915639 u
Formula C23H26F2O4
InChI InChI=1S/C23H26F2O4/c1-2-3-4-5-6-9-14-28-22(26)19-10-7-8-11-20(19)23(27)29-16-17-15-18(24)12-13-21(17)25/h7-8,10-13,15H,2-6,9,14,16H2,1H3
InChIKey PSAZRJHLEVHEQF-UHFFFAOYSA-N
Molecular Weight 404.454 g/mol
SMILES C(C1=CC=CC=C1C(OCC=1C=C(C=CC1F)F)=O)(OCCCCCCCC)=O