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Pentadecafluorooctanoic acid, hexadecyl ester

View entire compound with spectra: 1 NMR

Pentadecafluorooctanoic acid, hexadecyl ester
SpectraBase Compound ID 944OGQrHLCD
InChI InChI=1S/C24H33F15O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-41-17(40)18(25,26)19(27,28)20(29,30)21(31,32)22(33,34)23(35,36)24(37,38)39/h2-16H2,1H3
InChIKey MPBJRBHQFLLKBY-UHFFFAOYSA-N
Mol Weight 638.5 g/mol
Molecular Formula C24H33F15O2
Exact Mass 638.224103 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AKrxZyNMOng
Name Pentadecafluorooctanoic acid, hexadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 638.224102746 u
Formula C24H33F15O2
InChI InChI=1S/C24H33F15O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-41-17(40)18(25,26)19(27,28)20(29,30)21(31,32)22(33,34)23(35,36)24(37,38)39/h2-16H2,1H3
InChIKey MPBJRBHQFLLKBY-UHFFFAOYSA-N
Molecular Weight 638.502 g/mol
SMILES C(C(F)(F)C(C(F)(F)C(C(C(=O)OCCCCCCCCCCCCCCCC)(F)F)(F)F)(F)F)(C(F)(F)F)(F)F