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

View entire compound with spectra: 1 NMR

Terephthalic acid, pentadecyl 2,2,3,3,3-pentafluoropropyl ester
SpectraBase Compound ID 7Gw1lIzEZGv
InChI InChI=1S/C26H37F5O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-34-23(32)21-15-17-22(18-16-21)24(33)35-20-25(27,28)26(29,30)31/h15-18H,2-14,19-20H2,1H3
InChIKey RTIRRUPGGGDSSV-UHFFFAOYSA-N
Mol Weight 508.6 g/mol
Molecular Formula C26H37F5O4
Exact Mass 508.2612 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6w3rR34v6ok
Name Terephthalic acid, pentadecyl 2,2,3,3,3-pentafluoropropyl ester
Comments Computed using HOSE algorithm
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Exact Mass 508.261200482 u
Formula C26H37F5O4
InChI InChI=1S/C26H37F5O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-34-23(32)21-15-17-22(18-16-21)24(33)35-20-25(27,28)26(29,30)31/h15-18H,2-14,19-20H2,1H3
InChIKey RTIRRUPGGGDSSV-UHFFFAOYSA-N
Molecular Weight 508.570 g/mol
SMILES C1(=CC=C(C=C1)C(OCCCCCCCCCCCCCCC)=O)C(OCC(C(F)(F)F)(F)F)=O