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Phthalic acid, hexyl 4-trifluoromethoxybenzyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, hexyl 4-trifluoromethoxybenzyl ester
SpectraBase Compound ID FWifZr2D1Bi
InChI InChI=1S/C22H23F3O5/c1-2-3-4-7-14-28-20(26)18-8-5-6-9-19(18)21(27)29-15-16-10-12-17(13-11-16)30-22(23,24)25/h5-6,8-13H,2-4,7,14-15H2,1H3
InChIKey LFGXZZCPHSUAFP-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 Cz4s6nFaWbo
Name Phthalic 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/c1-2-3-4-7-14-28-20(26)18-8-5-6-9-19(18)21(27)29-15-16-10-12-17(13-11-16)30-22(23,24)25/h5-6,8-13H,2-4,7,14-15H2,1H3
InChIKey LFGXZZCPHSUAFP-UHFFFAOYSA-N
Molecular Weight 424.416 g/mol
SMILES C1(COC(C2=CC=CC=C2C(OCCCCCC)=O)=O)=CC=C(C=C1)OC(F)(F)F