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

View entire compound with spectra: 1 NMR

Terephthalic acid, 2,2,3,3,3-pentafluoropropyl tetradecyl ester
SpectraBase Compound ID A5ZkxzuYG9l
InChI InChI=1S/C25H35F5O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-33-22(31)20-14-16-21(17-15-20)23(32)34-19-24(26,27)25(28,29)30/h14-17H,2-13,18-19H2,1H3
InChIKey GWONAVIVCYKMFT-UHFFFAOYSA-N
Mol Weight 494.5 g/mol
Molecular Formula C25H35F5O4
Exact Mass 494.24555 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7zs0nd1AZFl
Name Terephthalic acid, 2,2,3,3,3-pentafluoropropyl tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 494.245550418 u
Formula C25H35F5O4
InChI InChI=1S/C25H35F5O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-33-22(31)20-14-16-21(17-15-20)23(32)34-19-24(26,27)25(28,29)30/h14-17H,2-13,18-19H2,1H3
InChIKey GWONAVIVCYKMFT-UHFFFAOYSA-N
Molecular Weight 494.543 g/mol
SMILES C1(=CC=C(C=C1)C(OCCCCCCCCCCCCCC)=O)C(OCC(C(F)(F)F)(F)F)=O