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Terephthalic acid, dodecyl 2,2,3,3,3-pentafluoropropyl ester

View entire compound with spectra: 1 NMR

Terephthalic acid, dodecyl 2,2,3,3,3-pentafluoropropyl ester
SpectraBase Compound ID JFYOwKdPSLC
InChI InChI=1S/C23H31F5O4/c1-2-3-4-5-6-7-8-9-10-11-16-31-20(29)18-12-14-19(15-13-18)21(30)32-17-22(24,25)23(26,27)28/h12-15H,2-11,16-17H2,1H3
InChIKey ZQUKKQZMKHBPJB-UHFFFAOYSA-N
Mol Weight 466.49 g/mol
Molecular Formula C23H31F5O4
Exact Mass 466.21425 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K3Gkq1ilgOi
Name Terephthalic acid, dodecyl 2,2,3,3,3-pentafluoropropyl ester
Comments Computed using HOSE algorithm
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Exact Mass 466.214250289 u
Formula C23H31F5O4
InChI InChI=1S/C23H31F5O4/c1-2-3-4-5-6-7-8-9-10-11-16-31-20(29)18-12-14-19(15-13-18)21(30)32-17-22(24,25)23(26,27)28/h12-15H,2-11,16-17H2,1H3
InChIKey ZQUKKQZMKHBPJB-UHFFFAOYSA-N
Molecular Weight 466.489 g/mol
SMILES C1(=CC=C(C=C1)C(OCCCCCCCCCCCC)=O)C(OCC(C(F)(F)F)(F)F)=O