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Pentadecafluorooctanoic acid, dodecyl ester

View entire compound with spectra: 1 NMR

Pentadecafluorooctanoic acid, dodecyl ester
SpectraBase Compound ID JfNDA5MklSP
InChI InChI=1S/C20H25F15O2/c1-2-3-4-5-6-7-8-9-10-11-12-37-13(36)14(21,22)15(23,24)16(25,26)17(27,28)18(29,30)19(31,32)20(33,34)35/h2-12H2,1H3
InChIKey XWMIMQYCDZVNJM-UHFFFAOYSA-N
Mol Weight 582.39 g/mol
Molecular Formula C20H25F15O2
Exact Mass 582.161502 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3yszFqw6BIm
Name Pentadecafluorooctanoic acid, dodecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 582.161502488 u
Formula C20H25F15O2
InChI InChI=1S/C20H25F15O2/c1-2-3-4-5-6-7-8-9-10-11-12-37-13(36)14(21,22)15(23,24)16(25,26)17(27,28)18(29,30)19(31,32)20(33,34)35/h2-12H2,1H3
InChIKey XWMIMQYCDZVNJM-UHFFFAOYSA-N
Molecular Weight 582.394 g/mol
SMILES C(C(F)(F)C(C(F)(F)C(C(C(=O)OCCCCCCCCCCCC)(F)F)(F)F)(F)F)(C(F)(F)F)(F)F