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L-Leucine, N-pentafluoropropionyl-, hexadecyl ester

View entire compound with spectra: 1 NMR

L-Leucine, N-pentafluoropropionyl-, hexadecyl ester
SpectraBase Compound ID 8c78faZgDxQ
InChI InChI=1S/C25H44F5NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-34-22(32)21(19-20(2)3)31-23(33)24(26,27)25(28,29)30/h20-21H,4-19H2,1-3H3,(H,31,33)
InChIKey NTAJODFUTMZGQI-UHFFFAOYSA-N
Mol Weight 501.6 g/mol
Molecular Formula C25H44F5NO3
Exact Mass 501.324135 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4ziiZLuF4Tm
Name L-Leucine, N-pentafluoropropionyl-, hexadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 501.324135093 u
Formula C25H44F5NO3
InChI InChI=1S/C25H44F5NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-34-22(32)21(19-20(2)3)31-23(33)24(26,27)25(28,29)30/h20-21H,4-19H2,1-3H3,(H,31,33)
InChIKey NTAJODFUTMZGQI-UHFFFAOYSA-N
Molecular Weight 501.623 g/mol
SMILES CCCCCCCCCCCCCCCCOC(C(NC(C(C(F)(F)F)(F)F)=O)CC(C)C)=O