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Pentadecafluorooctanoic acid, octadecyl ester

View entire compound with spectra: 1 NMR

Pentadecafluorooctanoic acid, octadecyl ester
SpectraBase Compound ID 4gcnwezggAS
InChI InChI=1S/C26H37F15O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-43-19(42)20(27,28)21(29,30)22(31,32)23(33,34)24(35,36)25(37,38)26(39,40)41/h2-18H2,1H3
InChIKey WTSTWJMWBBUFJP-UHFFFAOYSA-N
Mol Weight 666.6 g/mol
Molecular Formula C26H37F15O2
Exact Mass 666.255403 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CkLifq72U1I
Name Pentadecafluorooctanoic acid, octadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 666.255402874 u
Formula C26H37F15O2
InChI InChI=1S/C26H37F15O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-43-19(42)20(27,28)21(29,30)22(31,32)23(33,34)24(35,36)25(37,38)26(39,40)41/h2-18H2,1H3
InChIKey WTSTWJMWBBUFJP-UHFFFAOYSA-N
Molecular Weight 666.556 g/mol
SMILES C(C(F)(F)C(C(F)(F)C(C(C(=O)OCCCCCCCCCCCCCCCCCC)(F)F)(F)F)(F)F)(C(F)(F)F)(F)F