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Terephthalic acid, dodecyl 3,5-difluorophenyl ester

View entire compound with spectra: 1 NMR

Terephthalic acid, dodecyl 3,5-difluorophenyl ester
SpectraBase Compound ID J2TwOHYWM4t
InChI InChI=1S/C26H32F2O4/c1-2-3-4-5-6-7-8-9-10-11-16-31-25(29)20-12-14-21(15-13-20)26(30)32-24-18-22(27)17-23(28)19-24/h12-15,17-19H,2-11,16H2,1H3
InChIKey YGQJPRVSQANRIM-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 4aIi3OdVmXw
Name Terephthalic acid, dodecyl 3,5-difluorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 446.226865832 u
Formula C26H32F2O4
InChI InChI=1S/C26H32F2O4/c1-2-3-4-5-6-7-8-9-10-11-16-31-25(29)20-12-14-21(15-13-20)26(30)32-24-18-22(27)17-23(28)19-24/h12-15,17-19H,2-11,16H2,1H3
InChIKey YGQJPRVSQANRIM-UHFFFAOYSA-N
Molecular Weight 446.535 g/mol
SMILES C(CCCCCCCOC(=O)C1=CC=C(C=C1)C(=O)OC1=CC(=CC(=C1)F)F)CCCC