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

View entire compound with spectra: 1 NMR

L-Leucine, N-(trifluoroacetyl)-, tetradecyl ester
SpectraBase Compound ID FzBScoqtW7n
InChI InChI=1S/C22H40F3NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-29-20(27)19(17-18(2)3)26-21(28)22(23,24)25/h18-19H,4-17H2,1-3H3,(H,26,28)
InChIKey CKJPVMMUDXGOFI-UHFFFAOYSA-N
Mol Weight 423.6 g/mol
Molecular Formula C22H40F3NO3
Exact Mass 423.296029 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GOVC2RQb6M8
Name L-Leucine, N-(trifluoroacetyl)-, tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 423.296028638 u
Formula C22H40F3NO3
InChI InChI=1S/C22H40F3NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-29-20(27)19(17-18(2)3)26-21(28)22(23,24)25/h18-19H,4-17H2,1-3H3,(H,26,28)
InChIKey CKJPVMMUDXGOFI-UHFFFAOYSA-N
Molecular Weight 423.561 g/mol
SMILES CCCCCCCCCCCCCCOC(C(NC(C(F)(F)F)=O)CC(C)C)=O