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Phthalic acid, hexyl 2,2,2-trifluoro-1-phenylethyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, hexyl 2,2,2-trifluoro-1-phenylethyl ester
SpectraBase Compound ID CLCAPD09rP2
InChI InChI=1S/C22H23F3O4/c1-2-3-4-10-15-28-20(26)17-13-8-9-14-18(17)21(27)29-19(22(23,24)25)16-11-6-5-7-12-16/h5-9,11-14,19H,2-4,10,15H2,1H3
InChIKey PGENFBZCDNRMDY-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 4hRIaP1dXUf
Name Phthalic acid, hexyl 2,2,2-trifluoro-1-phenylethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 408.154843706 u
Formula C22H23F3O4
InChI InChI=1S/C22H23F3O4/c1-2-3-4-10-15-28-20(26)17-13-8-9-14-18(17)21(27)29-19(22(23,24)25)16-11-6-5-7-12-16/h5-9,11-14,19H,2-4,10,15H2,1H3
InChIKey PGENFBZCDNRMDY-UHFFFAOYSA-N
Molecular Weight 408.417 g/mol
SMILES C(C1=CC=CC=C1C(OC(C(F)(F)F)C1=CC=CC=C1)=O)(OCCCCCC)=O