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

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L-Leucine, N-methyl-N-pentadecafluorocarbonyl-, dodecyl ester
SpectraBase Compound ID JZPPmyjMF7h
InChI InChI=1S/C27H38F15NO3/c1-5-6-7-8-9-10-11-12-13-14-15-46-19(44)18(16-17(2)3)43(4)20(45)21(28,29)22(30,31)23(32,33)24(34,35)25(36,37)26(38,39)27(40,41)42/h17-18H,5-16H2,1-4H3
InChIKey BTPGJGVEHHELMZ-UHFFFAOYSA-N
Mol Weight 709.6 g/mol
Molecular Formula C27H38F15NO3
Exact Mass 709.261217 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fm1sbBiInEM
Name L-Leucine, N-methyl-N-pentadecafluorocarbonyl-, dodecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 709.261216530 u
Formula C27H38F15NO3
InChI InChI=1S/C27H38F15NO3/c1-5-6-7-8-9-10-11-12-13-14-15-46-19(44)18(16-17(2)3)43(4)20(45)21(28,29)22(30,31)23(32,33)24(34,35)25(36,37)26(38,39)27(40,41)42/h17-18H,5-16H2,1-4H3
InChIKey BTPGJGVEHHELMZ-UHFFFAOYSA-N
Molecular Weight 709.581 g/mol
SMILES CCCCCCCCCCCCOC(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