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L-Leucine, N-methyl-N-pentadecafluorocarbonyl-, undecyl ester

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L-Leucine, N-methyl-N-pentadecafluorocarbonyl-, undecyl ester
SpectraBase Compound ID H3wUcL15NtI
InChI InChI=1S/C26H36F15NO3/c1-5-6-7-8-9-10-11-12-13-14-45-18(43)17(15-16(2)3)42(4)19(44)20(27,28)21(29,30)22(31,32)23(33,34)24(35,36)25(37,38)26(39,40)41/h16-17H,5-15H2,1-4H3
InChIKey HIQBASOIXDZMJX-UHFFFAOYSA-N
Mol Weight 695.6 g/mol
Molecular Formula C26H36F15NO3
Exact Mass 695.245566 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E8JJhoQ3mX8
Name L-Leucine, N-methyl-N-pentadecafluorocarbonyl-, undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 695.245566465 u
Formula C26H36F15NO3
InChI InChI=1S/C26H36F15NO3/c1-5-6-7-8-9-10-11-12-13-14-45-18(43)17(15-16(2)3)42(4)19(44)20(27,28)21(29,30)22(31,32)23(33,34)24(35,36)25(37,38)26(39,40)41/h16-17H,5-15H2,1-4H3
InChIKey HIQBASOIXDZMJX-UHFFFAOYSA-N
Molecular Weight 695.554 g/mol
SMILES CCCCCCCCCCCOC(C(N(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)=O)C)CC(C)C)=O