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

View entire compound with spectra: 1 NMR

Terephthalic acid, 2,2,3,3,3-pentafluoropropyl octadecyl ester
SpectraBase Compound ID Epvl0YFwwwE
InChI InChI=1S/C29H43F5O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-37-26(35)24-18-20-25(21-19-24)27(36)38-23-28(30,31)29(32,33)34/h18-21H,2-17,22-23H2,1H3
InChIKey GBFMQUBDBIDVDO-UHFFFAOYSA-N
Mol Weight 550.7 g/mol
Molecular Formula C29H43F5O4
Exact Mass 550.308151 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GouwWiTsnkf
Name Terephthalic acid, 2,2,3,3,3-pentafluoropropyl octadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 550.308150676 u
Formula C29H43F5O4
InChI InChI=1S/C29H43F5O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-37-26(35)24-18-20-25(21-19-24)27(36)38-23-28(30,31)29(32,33)34/h18-21H,2-17,22-23H2,1H3
InChIKey GBFMQUBDBIDVDO-UHFFFAOYSA-N
Molecular Weight 550.651 g/mol
SMILES C1(=CC=C(C=C1)C(OCCCCCCCCCCCCCCCCCC)=O)C(OCC(C(F)(F)F)(F)F)=O