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Glutaric acid, nonyl 1-phenyl-2,2,2-trifluoroethyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, nonyl 1-phenyl-2,2,2-trifluoroethyl ester
SpectraBase Compound ID I6XXZCQ6FWT
InChI InChI=1S/C22H31F3O4/c1-2-3-4-5-6-7-11-17-28-19(26)15-12-16-20(27)29-21(22(23,24)25)18-13-9-8-10-14-18/h8-10,13-14,21H,2-7,11-12,15-17H2,1H3
InChIKey ZSKDZFIZIQFWLB-UHFFFAOYSA-N
Mol Weight 416.48 g/mol
Molecular Formula C22H31F3O4
Exact Mass 416.217444 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 29E3JHxMd6V
Name Glutaric acid, nonyl 1-phenyl-2,2,2-trifluoroethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 416.217443963 u
Formula C22H31F3O4
InChI InChI=1S/C22H31F3O4/c1-2-3-4-5-6-7-11-17-28-19(26)15-12-16-20(27)29-21(22(23,24)25)18-13-9-8-10-14-18/h8-10,13-14,21H,2-7,11-12,15-17H2,1H3
InChIKey ZSKDZFIZIQFWLB-UHFFFAOYSA-N
Molecular Weight 416.481 g/mol
SMILES C(OC(C(F)(F)F)C1=CC=CC=C1)(=O)CCCC(OCCCCCCCCC)=O