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Terephthalic acid, 3,5-difluorophenyl undecyl ester

View entire compound with spectra: 1 NMR

Terephthalic acid, 3,5-difluorophenyl undecyl ester
SpectraBase Compound ID GohGDuVvtzH
InChI InChI=1S/C25H30F2O4/c1-2-3-4-5-6-7-8-9-10-15-30-24(28)19-11-13-20(14-12-19)25(29)31-23-17-21(26)16-22(27)18-23/h11-14,16-18H,2-10,15H2,1H3
InChIKey MODIMWQGUGOWDC-UHFFFAOYSA-N
Mol Weight 432.51 g/mol
Molecular Formula C25H30F2O4
Exact Mass 432.211216 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AVH6deAjBbM
Name Terephthalic acid, 3,5-difluorophenyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 432.211215768 u
Formula C25H30F2O4
InChI InChI=1S/C25H30F2O4/c1-2-3-4-5-6-7-8-9-10-15-30-24(28)19-11-13-20(14-12-19)25(29)31-23-17-21(26)16-22(27)18-23/h11-14,16-18H,2-10,15H2,1H3
InChIKey MODIMWQGUGOWDC-UHFFFAOYSA-N
Molecular Weight 432.508 g/mol
SMILES C(CCCCCCOC(=O)C1=CC=C(C=C1)C(=O)OC1=CC(=CC(=C1)F)F)CCCC