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L-Leucine, N-(trifluoroacetyl)-, octadecyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

L-Leucine, N-(trifluoroacetyl)-, octadecyl ester
SpectraBase Compound ID 9vebprCreW7
InChI InChI=1S/C26H48F3NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-33-24(31)23(21-22(2)3)30-25(32)26(27,28)29/h22-23H,4-21H2,1-3H3,(H,30,32)
InChIKey WOAAOJRKWHKNDH-UHFFFAOYSA-N
Mol Weight 479.7 g/mol
Molecular Formula C26H48F3NO3
Exact Mass 479.358629 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8aNerujrnIu
Name L-Leucine, N-(trifluoroacetyl)-, octadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 479.358628896 u
Formula C26H48F3NO3
InChI InChI=1S/C26H48F3NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-33-24(31)23(21-22(2)3)30-25(32)26(27,28)29/h22-23H,4-21H2,1-3H3,(H,30,32)
InChIKey WOAAOJRKWHKNDH-UHFFFAOYSA-N
Molecular Weight 479.669 g/mol
SMILES CCCCCCCCCCCCCCCCCCOC(C(NC(C(F)(F)F)=O)CC(C)C)=O