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Terephthalic acid, 2-fluorobenzyl octyl ester

View entire compound with spectra: 1 NMR

Terephthalic acid, 2-fluorobenzyl octyl ester
SpectraBase Compound ID 7sbBFm7x5vA
InChI InChI=1S/C23H27FO4/c1-2-3-4-5-6-9-16-27-22(25)18-12-14-19(15-13-18)23(26)28-17-20-10-7-8-11-21(20)24/h7-8,10-15H,2-6,9,16-17H2,1H3
InChIKey FVCUBAIGIHGZSZ-UHFFFAOYSA-N
Mol Weight 386.46 g/mol
Molecular Formula C23H27FO4
Exact Mass 386.189338 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 26TS7JJvFRd
Name Terephthalic acid, 2-fluorobenzyl octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 386.189337508 u
Formula C23H27FO4
InChI InChI=1S/C23H27FO4/c1-2-3-4-5-6-9-16-27-22(25)18-12-14-19(15-13-18)23(26)28-17-20-10-7-8-11-21(20)24/h7-8,10-15H,2-6,9,16-17H2,1H3
InChIKey FVCUBAIGIHGZSZ-UHFFFAOYSA-N
Molecular Weight 386.463 g/mol
SMILES C1=CC(=CC=C1C(OCC1=C(C=CC=C1)F)=O)C(OCCCCCCCC)=O