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D-Allylglycine, N-trifluoroacetyl-, heptadecyl ester

View entire compound with spectra: 1 NMR

D-Allylglycine, N-trifluoroacetyl-, heptadecyl ester
SpectraBase Compound ID 5bGlNCp72xp
InChI InChI=1S/C24H42F3NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-31-22(29)21(19-4-2)28-23(30)24(25,26)27/h4,21H,2-3,5-20H2,1H3,(H,28,30)
InChIKey QPZGMJJVLBCNHU-UHFFFAOYSA-N
Mol Weight 449.6 g/mol
Molecular Formula C24H42F3NO3
Exact Mass 449.311679 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LYnePDwFprc
Name D-Allylglycine, N-trifluoroacetyl-, heptadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 449.311678702 u
Formula C24H42F3NO3
InChI InChI=1S/C24H42F3NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-31-22(29)21(19-4-2)28-23(30)24(25,26)27/h4,21H,2-3,5-20H2,1H3,(H,28,30)
InChIKey QPZGMJJVLBCNHU-UHFFFAOYSA-N
Molecular Weight 449.599 g/mol
SMILES CCCCCCCCCCCCCCCCCOC(C(NC(C(F)(F)F)=O)CC=C)=O