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Terephthalic acid, 3,4-difluorobenzyl octyl ester
SpectraBase Compound ID CtJoGvLsSzR
InChI InChI=1S/C23H26F2O4/c1-2-3-4-5-6-7-14-28-22(26)18-9-11-19(12-10-18)23(27)29-16-17-8-13-20(24)21(25)15-17/h8-13,15H,2-7,14,16H2,1H3
InChIKey UEAYNNRHGPYENT-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 90kF6WMm4BI
Name Terephthalic acid, 3,4-difluorobenzyl octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 404.179915639 u
Formula C23H26F2O4
InChI InChI=1S/C23H26F2O4/c1-2-3-4-5-6-7-14-28-22(26)18-9-11-19(12-10-18)23(27)29-16-17-8-13-20(24)21(25)15-17/h8-13,15H,2-7,14,16H2,1H3
InChIKey UEAYNNRHGPYENT-UHFFFAOYSA-N
Molecular Weight 404.454 g/mol
SMILES C1=CC(=CC=C1C(OCC1=CC=C(C(=C1)F)F)=O)C(OCCCCCCCC)=O