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

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L-Leucine, N-methyl-N-pentadecafluorocarbonyl-, pentadecyl ester
SpectraBase Compound ID 3FdSwdnoVZ4
InChI InChI=1S/C30H44F15NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-49-22(47)21(19-20(2)3)46(4)23(48)24(31,32)25(33,34)26(35,36)27(37,38)28(39,40)29(41,42)30(43,44)45/h20-21H,5-19H2,1-4H3
InChIKey PBYFMMJYAPAELV-UHFFFAOYSA-N
Mol Weight 751.7 g/mol
Molecular Formula C30H44F15NO3
Exact Mass 751.308167 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9UujNJYAAAA
Name L-Leucine, N-methyl-N-pentadecafluorocarbonyl-, pentadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 751.308166723 u
Formula C30H44F15NO3
InChI InChI=1S/C30H44F15NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-49-22(47)21(19-20(2)3)46(4)23(48)24(31,32)25(33,34)26(35,36)27(37,38)28(39,40)29(41,42)30(43,44)45/h20-21H,5-19H2,1-4H3
InChIKey PBYFMMJYAPAELV-UHFFFAOYSA-N
Molecular Weight 751.662 g/mol
SMILES CCCCCCCCCCCCCCCOC(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