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Terephthalic acid, hexyl 4-trifluoromethoxybenzyl ester

View entire compound with spectra: 1 NMR

Terephthalic acid, hexyl 4-trifluoromethoxybenzyl ester
SpectraBase Compound ID 2tVhTdbQTTz
InChI InChI=1S/C22H23F3O5/c1-2-3-4-5-14-28-20(26)17-8-10-18(11-9-17)21(27)29-15-16-6-12-19(13-7-16)30-22(23,24)25/h6-13H,2-5,14-15H2,1H3
InChIKey VLADEONDOOIOMA-UHFFFAOYSA-N
Mol Weight 424.42 g/mol
Molecular Formula C22H23F3O5
Exact Mass 424.149758 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GwSs8jYABox
Name Terephthalic acid, hexyl 4-trifluoromethoxybenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 424.149758325 u
Formula C22H23F3O5
InChI InChI=1S/C22H23F3O5/c1-2-3-4-5-14-28-20(26)17-8-10-18(11-9-17)21(27)29-15-16-6-12-19(13-7-16)30-22(23,24)25/h6-13H,2-5,14-15H2,1H3
InChIKey VLADEONDOOIOMA-UHFFFAOYSA-N
Molecular Weight 424.416 g/mol
SMILES C1(=CC=C(C=C1)C(OCCCCCC)=O)C(=O)OCC1=CC=C(C=C1)OC(F)(F)F