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D-Allylglycine, N-pentafluoropropionyl-, undecyl ester

View entire compound with spectra: 1 NMR

D-Allylglycine, N-pentafluoropropionyl-, undecyl ester
SpectraBase Compound ID IFnlWGyItFA
InChI InChI=1S/C19H30F5NO3/c1-3-5-6-7-8-9-10-11-12-14-28-16(26)15(13-4-2)25-17(27)18(20,21)19(22,23)24/h4,15H,2-3,5-14H2,1H3,(H,25,27)
InChIKey OTUSAUMDNCVHMP-UHFFFAOYSA-N
Mol Weight 415.45 g/mol
Molecular Formula C19H30F5NO3
Exact Mass 415.214585 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7S1ym6qPPPr
Name D-Allylglycine, N-pentafluoropropionyl-, undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 415.214584642 u
Formula C19H30F5NO3
InChI InChI=1S/C19H30F5NO3/c1-3-5-6-7-8-9-10-11-12-14-28-16(26)15(13-4-2)25-17(27)18(20,21)19(22,23)24/h4,15H,2-3,5-14H2,1H3,(H,25,27)
InChIKey OTUSAUMDNCVHMP-UHFFFAOYSA-N
Molecular Weight 415.445 g/mol
SMILES C=CCC(NC(C(C(F)(F)F)(F)F)=O)C(OCCCCCCCCCCC)=O