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D-Allylglycine, N-pentafluoropropionyl-, pentadecyl ester

View entire compound with spectra: 1 NMR

D-Allylglycine, N-pentafluoropropionyl-, pentadecyl ester
SpectraBase Compound ID 7HavrL7u956
InChI InChI=1S/C23H38F5NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-32-20(30)19(17-4-2)29-21(31)22(24,25)23(26,27)28/h4,19H,2-3,5-18H2,1H3,(H,29,31)
InChIKey HYXMJMQXRNMNRB-UHFFFAOYSA-N
Mol Weight 471.6 g/mol
Molecular Formula C23H38F5NO3
Exact Mass 471.277185 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HFmn0oOtTvL
Name D-Allylglycine, N-pentafluoropropionyl-, pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 471.277184900 u
Formula C23H38F5NO3
InChI InChI=1S/C23H38F5NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-32-20(30)19(17-4-2)29-21(31)22(24,25)23(26,27)28/h4,19H,2-3,5-18H2,1H3,(H,29,31)
InChIKey HYXMJMQXRNMNRB-UHFFFAOYSA-N
Molecular Weight 471.553 g/mol
SMILES C=CCC(NC(C(C(F)(F)F)(F)F)=O)C(OCCCCCCCCCCCCCCC)=O