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D-Allylglycine, N-pentafluoropropionyl-, tetradecyl ester

View entire compound with spectra: 1 NMR

D-Allylglycine, N-pentafluoropropionyl-, tetradecyl ester
SpectraBase Compound ID ByMd57WRRf5
InChI InChI=1S/C22H36F5NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-17-31-19(29)18(16-4-2)28-20(30)21(23,24)22(25,26)27/h4,18H,2-3,5-17H2,1H3,(H,28,30)
InChIKey SNPIQRJXVDIALW-UHFFFAOYSA-N
Mol Weight 457.5 g/mol
Molecular Formula C22H36F5NO3
Exact Mass 457.261535 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CWXmyOxJFjb
Name D-Allylglycine, N-pentafluoropropionyl-, tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 457.261534835 u
Formula C22H36F5NO3
InChI InChI=1S/C22H36F5NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-17-31-19(29)18(16-4-2)28-20(30)21(23,24)22(25,26)27/h4,18H,2-3,5-17H2,1H3,(H,28,30)
InChIKey SNPIQRJXVDIALW-UHFFFAOYSA-N
Molecular Weight 457.526 g/mol
SMILES CCCCCCCCCCCCCCOC(C(NC(C(C(F)(F)F)(F)F)=O)CC=C)=O