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

View entire compound with spectra: 1 NMR

Phthalic acid, propyl 2,2,2-trifluoro-1-phenylethyl ester
SpectraBase Compound ID FKIClbaPyDp
InChI InChI=1S/C19H17F3O4/c1-2-12-25-17(23)14-10-6-7-11-15(14)18(24)26-16(19(20,21)22)13-8-4-3-5-9-13/h3-11,16H,2,12H2,1H3
InChIKey HJCQCNUHXONGCR-UHFFFAOYSA-N
Mol Weight 366.34 g/mol
Molecular Formula C19H17F3O4
Exact Mass 366.107894 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KB4mQi0drBC
Name Phthalic acid, propyl 2,2,2-trifluoro-1-phenylethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 366.107893512 u
Formula C19H17F3O4
InChI InChI=1S/C19H17F3O4/c1-2-12-25-17(23)14-10-6-7-11-15(14)18(24)26-16(19(20,21)22)13-8-4-3-5-9-13/h3-11,16H,2,12H2,1H3
InChIKey HJCQCNUHXONGCR-UHFFFAOYSA-N
Molecular Weight 366.336 g/mol
SMILES C(C1=CC=CC=C1C(OC(C(F)(F)F)C1=CC=CC=C1)=O)(OCCC)=O