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

View entire compound with spectra: 1 NMR

Terephthalic acid, nonyl 1,1,1-trifluoroprop-2-yl ester
SpectraBase Compound ID KYZhVXjBKYA
InChI InChI=1S/C20H27F3O4/c1-3-4-5-6-7-8-9-14-26-18(24)16-10-12-17(13-11-16)19(25)27-15(2)20(21,22)23/h10-13,15H,3-9,14H2,1-2H3
InChIKey LXRWIVQFRJPGTO-UHFFFAOYSA-N
Mol Weight 388.43 g/mol
Molecular Formula C20H27F3O4
Exact Mass 388.186144 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID INgQ3GHr1XR
Name Terephthalic acid, nonyl 1,1,1-trifluoroprop-2-yl ester
Comments Computed using HOSE algorithm
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Exact Mass 388.186143834 u
Formula C20H27F3O4
InChI InChI=1S/C20H27F3O4/c1-3-4-5-6-7-8-9-14-26-18(24)16-10-12-17(13-11-16)19(25)27-15(2)20(21,22)23/h10-13,15H,3-9,14H2,1-2H3
InChIKey LXRWIVQFRJPGTO-UHFFFAOYSA-N
Molecular Weight 388.427 g/mol
SMILES C1(=CC=C(C=C1)C(OCCCCCCCCC)=O)C(OC(C(F)(F)F)C)=O