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Glycine, N-pentadecafluorooctanoyl-, octadecyl ester

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Glycine, N-pentadecafluorooctanoyl-, octadecyl ester
SpectraBase Compound ID 1OpCLWqhFv7
InChI InChI=1S/C28H40F15NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-47-20(45)19-44-21(46)22(29,30)23(31,32)24(33,34)25(35,36)26(37,38)27(39,40)28(41,42)43/h2-19H2,1H3,(H,44,46)
InChIKey FEPKEJAQUVCJNG-UHFFFAOYSA-N
Mol Weight 723.6 g/mol
Molecular Formula C28H40F15NO3
Exact Mass 723.276867 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 87rXBZuuoKF
Name Glycine, N-pentadecafluorooctanoyl-, octadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 723.276866594 u
Formula C28H40F15NO3
InChI InChI=1S/C28H40F15NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-47-20(45)19-44-21(46)22(29,30)23(31,32)24(33,34)25(35,36)26(37,38)27(39,40)28(41,42)43/h2-19H2,1H3,(H,44,46)
InChIKey FEPKEJAQUVCJNG-UHFFFAOYSA-N
Molecular Weight 723.608 g/mol
SMILES C(C(C(NCC(=O)OCCCCCCCCCCCCCCCCCC)=O)(F)F)(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F