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

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L-Leucine, N-methyl-N-pentadecafluorocarbonyl-, hexadecyl ester
SpectraBase Compound ID Ft6yp6wuRbA
InChI InChI=1S/C31H46F15NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-50-23(48)22(20-21(2)3)47(4)24(49)25(32,33)26(34,35)27(36,37)28(38,39)29(40,41)30(42,43)31(44,45)46/h21-22H,5-20H2,1-4H3
InChIKey WCVUSUBBTPKVCU-UHFFFAOYSA-N
Mol Weight 765.7 g/mol
Molecular Formula C31H46F15NO3
Exact Mass 765.323817 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BNzyvWdaJUk
Name L-Leucine, N-methyl-N-pentadecafluorocarbonyl-, hexadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 765.323816787 u
Formula C31H46F15NO3
InChI InChI=1S/C31H46F15NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-50-23(48)22(20-21(2)3)47(4)24(49)25(32,33)26(34,35)27(36,37)28(38,39)29(40,41)30(42,43)31(44,45)46/h21-22H,5-20H2,1-4H3
InChIKey WCVUSUBBTPKVCU-UHFFFAOYSA-N
Molecular Weight 765.689 g/mol
SMILES CCCCCCCCCCCCCCCCOC(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