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

View entire compound with spectra: 1 NMR

Phthalic acid, nonyl 2,2,2-trifluoro-1-phenylethyl ester
SpectraBase Compound ID LiAvYJo6LPb
InChI InChI=1S/C25H29F3O4/c1-2-3-4-5-6-7-13-18-31-23(29)20-16-11-12-17-21(20)24(30)32-22(25(26,27)28)19-14-9-8-10-15-19/h8-12,14-17,22H,2-7,13,18H2,1H3
InChIKey OVCVXWPVUDWLAW-UHFFFAOYSA-N
Mol Weight 450.5 g/mol
Molecular Formula C25H29F3O4
Exact Mass 450.201794 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID qwsMcmKni8
Name Phthalic acid, nonyl 2,2,2-trifluoro-1-phenylethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 450.201793899 u
Formula C25H29F3O4
InChI InChI=1S/C25H29F3O4/c1-2-3-4-5-6-7-13-18-31-23(29)20-16-11-12-17-21(20)24(30)32-22(25(26,27)28)19-14-9-8-10-15-19/h8-12,14-17,22H,2-7,13,18H2,1H3
InChIKey OVCVXWPVUDWLAW-UHFFFAOYSA-N
Molecular Weight 450.498 g/mol
SMILES C(C1=CC=CC=C1C(OC(C(F)(F)F)C1=CC=CC=C1)=O)(OCCCCCCCCC)=O