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

View entire compound with spectra: 1 NMR

Phthalic acid, decyl 2,2,2-trifluoro-1-phenylethyl ester
SpectraBase Compound ID 7pqHsF4RUkN
InChI InChI=1S/C26H31F3O4/c1-2-3-4-5-6-7-8-14-19-32-24(30)21-17-12-13-18-22(21)25(31)33-23(26(27,28)29)20-15-10-9-11-16-20/h9-13,15-18,23H,2-8,14,19H2,1H3
InChIKey GTCCPYJZRRHZPZ-UHFFFAOYSA-N
Mol Weight 464.53 g/mol
Molecular Formula C26H31F3O4
Exact Mass 464.217444 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8klf0JpuY20
Name Phthalic acid, decyl 2,2,2-trifluoro-1-phenylethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 464.217443963 u
Formula C26H31F3O4
InChI InChI=1S/C26H31F3O4/c1-2-3-4-5-6-7-8-14-19-32-24(30)21-17-12-13-18-22(21)25(31)33-23(26(27,28)29)20-15-10-9-11-16-20/h9-13,15-18,23H,2-8,14,19H2,1H3
InChIKey GTCCPYJZRRHZPZ-UHFFFAOYSA-N
Molecular Weight 464.525 g/mol
SMILES C(C1=CC=CC=C1C(OC(C(F)(F)F)C1=CC=CC=C1)=O)(OCCCCCCCCCC)=O