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Glutaric acid, 4-(trifluoromethoxy)benzyl tridecyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 4-(trifluoromethoxy)benzyl tridecyl ester
SpectraBase Compound ID 6vGjbD13r0L
InChI InChI=1S/C26H39F3O5/c1-2-3-4-5-6-7-8-9-10-11-12-20-32-24(30)14-13-15-25(31)33-21-22-16-18-23(19-17-22)34-26(27,28)29/h16-19H,2-15,20-21H2,1H3
InChIKey KPGJGJSUCGDRDI-UHFFFAOYSA-N
Mol Weight 488.6 g/mol
Molecular Formula C26H39F3O5
Exact Mass 488.274959 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Eht4pTSAd5i
Name Glutaric acid, 4-(trifluoromethoxy)benzyl tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 488.274958840 u
Formula C26H39F3O5
InChI InChI=1S/C26H39F3O5/c1-2-3-4-5-6-7-8-9-10-11-12-20-32-24(30)14-13-15-25(31)33-21-22-16-18-23(19-17-22)34-26(27,28)29/h16-19H,2-15,20-21H2,1H3
InChIKey KPGJGJSUCGDRDI-UHFFFAOYSA-N
Molecular Weight 488.588 g/mol
SMILES C(OCC1=CC=C(OC(F)(F)F)C=C1)(=O)CCCC(OCCCCCCCCCCCCC)=O