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

View entire compound with spectra: 1 NMR

Phthalic acid, heptyl 2,2,2-trifluoro-1-phenylethyl ester
SpectraBase Compound ID 5qW80Klm3Zx
InChI InChI=1S/C23H25F3O4/c1-2-3-4-5-11-16-29-21(27)18-14-9-10-15-19(18)22(28)30-20(23(24,25)26)17-12-7-6-8-13-17/h6-10,12-15,20H,2-5,11,16H2,1H3
InChIKey NTPFVQPFDBJYQG-UHFFFAOYSA-N
Mol Weight 422.44 g/mol
Molecular Formula C23H25F3O4
Exact Mass 422.170494 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HxMfXqkeseZ
Name Phthalic acid, heptyl 2,2,2-trifluoro-1-phenylethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 422.170493770 u
Formula C23H25F3O4
InChI InChI=1S/C23H25F3O4/c1-2-3-4-5-11-16-29-21(27)18-14-9-10-15-19(18)22(28)30-20(23(24,25)26)17-12-7-6-8-13-17/h6-10,12-15,20H,2-5,11,16H2,1H3
InChIKey NTPFVQPFDBJYQG-UHFFFAOYSA-N
Molecular Weight 422.444 g/mol
SMILES C(C1=CC=CC=C1C(OC(C(F)(F)F)C1=CC=CC=C1)=O)(OCCCCCCC)=O