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

View entire compound with spectra: 1 NMR

Glutaric acid, 1-phenyl-2,2,2-trifluoroethyl undecyl ester
SpectraBase Compound ID 2TzXM5Z86aZ
InChI InChI=1S/C24H35F3O4/c1-2-3-4-5-6-7-8-9-13-19-30-21(28)17-14-18-22(29)31-23(24(25,26)27)20-15-11-10-12-16-20/h10-12,15-16,23H,2-9,13-14,17-19H2,1H3
InChIKey QLGFZINUFBPQJU-UHFFFAOYSA-N
Mol Weight 444.5 g/mol
Molecular Formula C24H35F3O4
Exact Mass 444.248744 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BBUbxWoMpNC
Name Glutaric acid, 1-phenyl-2,2,2-trifluoroethyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 444.248744092 u
Formula C24H35F3O4
InChI InChI=1S/C24H35F3O4/c1-2-3-4-5-6-7-8-9-13-19-30-21(28)17-14-18-22(29)31-23(24(25,26)27)20-15-11-10-12-16-20/h10-12,15-16,23H,2-9,13-14,17-19H2,1H3
InChIKey QLGFZINUFBPQJU-UHFFFAOYSA-N
Molecular Weight 444.535 g/mol
SMILES C(OC(C(F)(F)F)C1=CC=CC=C1)(=O)CCCC(OCCCCCCCCCCC)=O