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

View entire compound with spectra: 1 NMR

Glutaric acid, 1,1,1-trifluoroprop-2-yl octadecyl ester
SpectraBase Compound ID IdHm5P652wN
InChI InChI=1S/C26H47F3O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-32-24(30)20-19-21-25(31)33-23(2)26(27,28)29/h23H,3-22H2,1-2H3
InChIKey VRSJXETWDULVLL-UHFFFAOYSA-N
Mol Weight 480.7 g/mol
Molecular Formula C26H47F3O4
Exact Mass 480.342644 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3qjZUTJ0AwZ
Name Glutaric acid, 1,1,1-trifluoroprop-2-yl octadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 480.342644478 u
Formula C26H47F3O4
InChI InChI=1S/C26H47F3O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-32-24(30)20-19-21-25(31)33-23(2)26(27,28)29/h23H,3-22H2,1-2H3
InChIKey VRSJXETWDULVLL-UHFFFAOYSA-N
Molecular Weight 480.653 g/mol
SMILES C(CCC(OC(C)C(F)(F)F)=O)C(OCCCCCCCCCCCCCCCCCC)=O