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Glutaric acid, 1,1,1-trifluoroprop-2-yl heptadecyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 1,1,1-trifluoroprop-2-yl heptadecyl ester
SpectraBase Compound ID 7TxF3IIuXlV
InChI InChI=1S/C25H45F3O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-31-23(29)19-18-20-24(30)32-22(2)25(26,27)28/h22H,3-21H2,1-2H3
InChIKey MKVQSGBLNFWCEK-UHFFFAOYSA-N
Mol Weight 466.6 g/mol
Molecular Formula C25H45F3O4
Exact Mass 466.326994 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1RH6K86hGJ5
Name Glutaric acid, 1,1,1-trifluoroprop-2-yl heptadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 466.326994414 u
Formula C25H45F3O4
InChI InChI=1S/C25H45F3O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-31-23(29)19-18-20-24(30)32-22(2)25(26,27)28/h22H,3-21H2,1-2H3
InChIKey MKVQSGBLNFWCEK-UHFFFAOYSA-N
Molecular Weight 466.626 g/mol
SMILES C(CCC(OC(C)C(F)(F)F)=O)C(OCCCCCCCCCCCCCCCCC)=O