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Phthalic acid, nonyl 2-trifluoromethylbenzyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, nonyl 2-trifluoromethylbenzyl ester
SpectraBase Compound ID KqPMwQ7qX4I
InChI InChI=1S/C25H29F3O4/c1-2-3-4-5-6-7-12-17-31-23(29)20-14-9-10-15-21(20)24(30)32-18-19-13-8-11-16-22(19)25(26,27)28/h8-11,13-16H,2-7,12,17-18H2,1H3
InChIKey WBGUUMYESCEYLN-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 LsVbfu6xDq0
Name Phthalic acid, nonyl 2-trifluoromethylbenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 450.201793899 u
Formula C25H29F3O4
InChI InChI=1S/C25H29F3O4/c1-2-3-4-5-6-7-12-17-31-23(29)20-14-9-10-15-21(20)24(30)32-18-19-13-8-11-16-22(19)25(26,27)28/h8-11,13-16H,2-7,12,17-18H2,1H3
InChIKey WBGUUMYESCEYLN-UHFFFAOYSA-N
Molecular Weight 450.498 g/mol
SMILES C(C1=CC=CC=C1C(OCC=1C=CC=CC1C(F)(F)F)=O)(OCCCCCCCCC)=O