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

View entire compound with spectra: 1 NMR

Terephthalic acid, 2,2,3,3,3-pentafluoropropyl undecyl ester
SpectraBase Compound ID Gt9FOq4XWpK
InChI InChI=1S/C22H29F5O4/c1-2-3-4-5-6-7-8-9-10-15-30-19(28)17-11-13-18(14-12-17)20(29)31-16-21(23,24)22(25,26)27/h11-14H,2-10,15-16H2,1H3
InChIKey JLIOXZXJZQFDKT-UHFFFAOYSA-N
Mol Weight 452.46 g/mol
Molecular Formula C22H29F5O4
Exact Mass 452.1986 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LAfvOzBpX1I
Name Terephthalic acid, 2,2,3,3,3-pentafluoropropyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 452.198600225 u
Formula C22H29F5O4
InChI InChI=1S/C22H29F5O4/c1-2-3-4-5-6-7-8-9-10-15-30-19(28)17-11-13-18(14-12-17)20(29)31-16-21(23,24)22(25,26)27/h11-14H,2-10,15-16H2,1H3
InChIKey JLIOXZXJZQFDKT-UHFFFAOYSA-N
Molecular Weight 452.462 g/mol
SMILES C1(=CC=C(C=C1)C(OCCCCCCCCCCC)=O)C(OCC(C(F)(F)F)(F)F)=O