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L-Norvaline, N-trifluoroacetyl-, pentadecyl ester

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

L-Norvaline, N-trifluoroacetyl-, pentadecyl ester
SpectraBase Compound ID LSropfcRXQj
InChI InChI=1S/C22H40F3NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-29-20(27)19(17-4-2)26-21(28)22(23,24)25/h19H,3-18H2,1-2H3,(H,26,28)
InChIKey HLMKGGQCDKMJQF-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 ZHnIV9Fc6x
Name L-Norvaline, N-trifluoroacetyl-, pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 423.296028638 u
Formula C22H40F3NO3
InChI InChI=1S/C22H40F3NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-29-20(27)19(17-4-2)26-21(28)22(23,24)25/h19H,3-18H2,1-2H3,(H,26,28)
InChIKey HLMKGGQCDKMJQF-UHFFFAOYSA-N
Molecular Weight 423.561 g/mol
SMILES CCCCCCCCCCCCCCCOC(C(NC(C(F)(F)F)=O)CCC)=O