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Eicosanoic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester

View entire compound with spectra: 1 NMR

Eicosanoic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester
SpectraBase Compound ID HaeqmYYmuSz
InChI InChI=1S/C24H41F7O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(32)33-20-22(25,26)23(27,28)24(29,30)31/h2-20H2,1H3
InChIKey DDCSZXVLSWFKNX-UHFFFAOYSA-N
Mol Weight 494.6 g/mol
Molecular Formula C24H41F7O2
Exact Mass 494.299478 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2mwvAUKe3AF
Name Eicosanoic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester
Comments Computed using HOSE algorithm
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Exact Mass 494.299477699 u
Formula C24H41F7O2
InChI InChI=1S/C24H41F7O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(32)33-20-22(25,26)23(27,28)24(29,30)31/h2-20H2,1H3
InChIKey DDCSZXVLSWFKNX-UHFFFAOYSA-N
Molecular Weight 494.579 g/mol
SMILES C(CCC(=O)OCC(C(C(F)(F)F)(F)F)(F)F)CCCCCCCCCCCCCCCC