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

View entire compound with spectra: 1 NMR

Glutaric acid, 1-phenyl-2,2,2-trifluoroethyl tridecyl ester
SpectraBase Compound ID BgTiictBkDM
InChI InChI=1S/C26H39F3O4/c1-2-3-4-5-6-7-8-9-10-11-15-21-32-23(30)19-16-20-24(31)33-25(26(27,28)29)22-17-13-12-14-18-22/h12-14,17-18,25H,2-11,15-16,19-21H2,1H3
InChIKey ZMRVZELXFBOKQT-UHFFFAOYSA-N
Mol Weight 472.6 g/mol
Molecular Formula C26H39F3O4
Exact Mass 472.280044 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3poe2yFtiDa
Name Glutaric acid, 1-phenyl-2,2,2-trifluoroethyl tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 472.280044221 u
Formula C26H39F3O4
InChI InChI=1S/C26H39F3O4/c1-2-3-4-5-6-7-8-9-10-11-15-21-32-23(30)19-16-20-24(31)33-25(26(27,28)29)22-17-13-12-14-18-22/h12-14,17-18,25H,2-11,15-16,19-21H2,1H3
InChIKey ZMRVZELXFBOKQT-UHFFFAOYSA-N
Molecular Weight 472.589 g/mol
SMILES C(OC(C(F)(F)F)C1=CC=CC=C1)(=O)CCCC(OCCCCCCCCCCCCC)=O