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

View entire compound with spectra: 1 NMR

Phthalic acid, octyl 2,2,2-trifluoro-1-phenylethyl ester
SpectraBase Compound ID Iz5ed93Dz7w
InChI InChI=1S/C24H27F3O4/c1-2-3-4-5-6-12-17-30-22(28)19-15-10-11-16-20(19)23(29)31-21(24(25,26)27)18-13-8-7-9-14-18/h7-11,13-16,21H,2-6,12,17H2,1H3
InChIKey MBUKTOAXELFBOX-UHFFFAOYSA-N
Mol Weight 436.47 g/mol
Molecular Formula C24H27F3O4
Exact Mass 436.186144 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JKeZHQNtjE6
Name Phthalic acid, octyl 2,2,2-trifluoro-1-phenylethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 436.186143834 u
Formula C24H27F3O4
InChI InChI=1S/C24H27F3O4/c1-2-3-4-5-6-12-17-30-22(28)19-15-10-11-16-20(19)23(29)31-21(24(25,26)27)18-13-8-7-9-14-18/h7-11,13-16,21H,2-6,12,17H2,1H3
InChIKey MBUKTOAXELFBOX-UHFFFAOYSA-N
Molecular Weight 436.471 g/mol
SMILES C(C1=CC=CC=C1C(OC(C(F)(F)F)C1=CC=CC=C1)=O)(OCCCCCCCC)=O