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Terephthalic acid, dodecyl 1,1,1-trifluoroprop-2-yl ester

View entire compound with spectra: 1 NMR

Terephthalic acid, dodecyl 1,1,1-trifluoroprop-2-yl ester
SpectraBase Compound ID Edf0ZpjBrKA
InChI InChI=1S/C23H33F3O4/c1-3-4-5-6-7-8-9-10-11-12-17-29-21(27)19-13-15-20(16-14-19)22(28)30-18(2)23(24,25)26/h13-16,18H,3-12,17H2,1-2H3
InChIKey ZZOKNDCIVBIMRZ-UHFFFAOYSA-N
Mol Weight 430.5 g/mol
Molecular Formula C23H33F3O4
Exact Mass 430.233094 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CuYPJ2A8jLR
Name Terephthalic acid, dodecyl 1,1,1-trifluoroprop-2-yl ester
Comments Computed using HOSE algorithm
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Exact Mass 430.233094028 u
Formula C23H33F3O4
InChI InChI=1S/C23H33F3O4/c1-3-4-5-6-7-8-9-10-11-12-17-29-21(27)19-13-15-20(16-14-19)22(28)30-18(2)23(24,25)26/h13-16,18H,3-12,17H2,1-2H3
InChIKey ZZOKNDCIVBIMRZ-UHFFFAOYSA-N
Molecular Weight 430.508 g/mol
SMILES C1(=CC=C(C=C1)C(OCCCCCCCCCCCC)=O)C(OC(C(F)(F)F)C)=O