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D-Allylglycine, N-pentadecafluorooctanoyl-, decyl ester
SpectraBase Compound ID KU19S5WdFER
InChI InChI=1S/C23H28F15NO3/c1-3-5-6-7-8-9-10-11-13-42-15(40)14(12-4-2)39-16(41)17(24,25)18(26,27)19(28,29)20(30,31)21(32,33)22(34,35)23(36,37)38/h4,14H,2-3,5-13H2,1H3,(H,39,41)
InChIKey GHVYOLNVGMYPCZ-UHFFFAOYSA-N
Mol Weight 651.46 g/mol
Molecular Formula C23H28F15NO3
Exact Mass 651.182966 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1cTJdUSIuJ8
Name D-Allylglycine, N-pentadecafluorooctanoyl-, decyl ester
Comments Computed using HOSE algorithm
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Exact Mass 651.182966208 u
Formula C23H28F15NO3
InChI InChI=1S/C23H28F15NO3/c1-3-5-6-7-8-9-10-11-13-42-15(40)14(12-4-2)39-16(41)17(24,25)18(26,27)19(28,29)20(30,31)21(32,33)22(34,35)23(36,37)38/h4,14H,2-3,5-13H2,1H3,(H,39,41)
InChIKey GHVYOLNVGMYPCZ-UHFFFAOYSA-N
Molecular Weight 651.457 g/mol
SMILES CCCCCCCCCCOC(C(NC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)=O)CC=C)=O