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Phthalic acid, hexyl 2-trifluoromethylbenzyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, hexyl 2-trifluoromethylbenzyl ester
SpectraBase Compound ID 3AptvpZnUF1
InChI InChI=1S/C22H23F3O4/c1-2-3-4-9-14-28-20(26)17-11-6-7-12-18(17)21(27)29-15-16-10-5-8-13-19(16)22(23,24)25/h5-8,10-13H,2-4,9,14-15H2,1H3
InChIKey NRHCSAOTRMJLTD-UHFFFAOYSA-N
Mol Weight 408.42 g/mol
Molecular Formula C22H23F3O4
Exact Mass 408.154844 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HfzTv43wrZx
Name Phthalic acid, hexyl 2-trifluoromethylbenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 408.154843706 u
Formula C22H23F3O4
InChI InChI=1S/C22H23F3O4/c1-2-3-4-9-14-28-20(26)17-11-6-7-12-18(17)21(27)29-15-16-10-5-8-13-19(16)22(23,24)25/h5-8,10-13H,2-4,9,14-15H2,1H3
InChIKey NRHCSAOTRMJLTD-UHFFFAOYSA-N
Molecular Weight 408.417 g/mol
SMILES C(C1=CC=CC=C1C(OCC=1C=CC=CC1C(F)(F)F)=O)(OCCCCCC)=O