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

View entire compound with spectra: 1 NMR

Glutaric acid, decyl 1-phenyl-2,2,2-trifluoroethyl ester
SpectraBase Compound ID JdG0z4ZkvRK
InChI InChI=1S/C23H33F3O4/c1-2-3-4-5-6-7-8-12-18-29-20(27)16-13-17-21(28)30-22(23(24,25)26)19-14-10-9-11-15-19/h9-11,14-15,22H,2-8,12-13,16-18H2,1H3
InChIKey NMLJGRQGAFJIAJ-UHFFFAOYSA-N
Mol Weight 430.5 g/mol
Molecular Formula C23H33F3O4
Exact Mass 430.233094 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6MMVnfd5UWl
Name Glutaric acid, decyl 1-phenyl-2,2,2-trifluoroethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 430.233094028 u
Formula C23H33F3O4
InChI InChI=1S/C23H33F3O4/c1-2-3-4-5-6-7-8-12-18-29-20(27)16-13-17-21(28)30-22(23(24,25)26)19-14-10-9-11-15-19/h9-11,14-15,22H,2-8,12-13,16-18H2,1H3
InChIKey NMLJGRQGAFJIAJ-UHFFFAOYSA-N
Molecular Weight 430.508 g/mol
SMILES C(OC(C(F)(F)F)C1=CC=CC=C1)(=O)CCCC(OCCCCCCCCCC)=O