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Pentadecafluorooctanoic acid, tetradecyl ester

View entire compound with spectra: 1 NMR

Pentadecafluorooctanoic acid, tetradecyl ester
SpectraBase Compound ID 4MbPkvhkmep
InChI InChI=1S/C22H29F15O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-39-15(38)16(23,24)17(25,26)18(27,28)19(29,30)20(31,32)21(33,34)22(35,36)37/h2-14H2,1H3
InChIKey NOKXIZFPRNDELA-UHFFFAOYSA-N
Mol Weight 610.45 g/mol
Molecular Formula C22H29F15O2
Exact Mass 610.192803 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1Jzxe6KUcHY
Name Pentadecafluorooctanoic acid, tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 610.192802617 u
Formula C22H29F15O2
InChI InChI=1S/C22H29F15O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-39-15(38)16(23,24)17(25,26)18(27,28)19(29,30)20(31,32)21(33,34)22(35,36)37/h2-14H2,1H3
InChIKey NOKXIZFPRNDELA-UHFFFAOYSA-N
Molecular Weight 610.448 g/mol
SMILES C(C(F)(F)C(C(F)(F)C(C(C(=O)OCCCCCCCCCCCCCC)(F)F)(F)F)(F)F)(C(F)(F)F)(F)F