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Terephthalic acid, 3,4-difluorobenzyl undecyl ester

View entire compound with spectra: 1 NMR

Terephthalic acid, 3,4-difluorobenzyl undecyl ester
SpectraBase Compound ID CHqrwJMyWqa
InChI InChI=1S/C26H32F2O4/c1-2-3-4-5-6-7-8-9-10-17-31-25(29)21-12-14-22(15-13-21)26(30)32-19-20-11-16-23(27)24(28)18-20/h11-16,18H,2-10,17,19H2,1H3
InChIKey GICJGSRBKKNBJB-UHFFFAOYSA-N
Mol Weight 446.5 g/mol
Molecular Formula C26H32F2O4
Exact Mass 446.226866 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6ShbqwKJO4k
Name Terephthalic acid, 3,4-difluorobenzyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 446.226865832 u
Formula C26H32F2O4
InChI InChI=1S/C26H32F2O4/c1-2-3-4-5-6-7-8-9-10-17-31-25(29)21-12-14-22(15-13-21)26(30)32-19-20-11-16-23(27)24(28)18-20/h11-16,18H,2-10,17,19H2,1H3
InChIKey GICJGSRBKKNBJB-UHFFFAOYSA-N
Molecular Weight 446.535 g/mol
SMILES C1=CC(=CC=C1C(OCC1=CC=C(C(=C1)F)F)=O)C(OCCCCCCCCCCC)=O