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D-Allylglycine, N-trifluoroacetyl-, octadecyl ester

View entire compound with spectra: 1 NMR

D-Allylglycine, N-trifluoroacetyl-, octadecyl ester
SpectraBase Compound ID 15iLq9hZBp1
InChI InChI=1S/C25H44F3NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-32-23(30)22(20-4-2)29-24(31)25(26,27)28/h4,22H,2-3,5-21H2,1H3,(H,29,31)
InChIKey BCYNZNNCMVVQLQ-UHFFFAOYSA-N
Mol Weight 463.6 g/mol
Molecular Formula C25H44F3NO3
Exact Mass 463.327329 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8J9Hcp9qeBx
Name D-Allylglycine, N-trifluoroacetyl-, octadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 463.327328767 u
Formula C25H44F3NO3
InChI InChI=1S/C25H44F3NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-32-23(30)22(20-4-2)29-24(31)25(26,27)28/h4,22H,2-3,5-21H2,1H3,(H,29,31)
InChIKey BCYNZNNCMVVQLQ-UHFFFAOYSA-N
Molecular Weight 463.626 g/mol
SMILES CCCCCCCCCCCCCCCCCCOC(C(NC(C(F)(F)F)=O)CC=C)=O