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D.Allylglycine, N-trifluoroacetyl-, dodecyl ester
SpectraBase Compound ID B1kO0sw8QpH
InChI InChI=1S/C19H32F3NO3/c1-3-5-6-7-8-9-10-11-12-13-15-26-17(24)16(14-4-2)23-18(25)19(20,21)22/h4,16H,2-3,5-15H2,1H3,(H,23,25)
InChIKey UJNGFYDQWVRLOQ-UHFFFAOYSA-N
Mol Weight 379.5 g/mol
Molecular Formula C19H32F3NO3
Exact Mass 379.233428 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FdlFINuX0ay
Name D.Allylglycine, N-trifluoroacetyl-, dodecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 379.233428380 u
Formula C19H32F3NO3
InChI InChI=1S/C19H32F3NO3/c1-3-5-6-7-8-9-10-11-12-13-15-26-17(24)16(14-4-2)23-18(25)19(20,21)22/h4,16H,2-3,5-15H2,1H3,(H,23,25)
InChIKey UJNGFYDQWVRLOQ-UHFFFAOYSA-N
Molecular Weight 379.464 g/mol
SMILES CCCCCCCCCCCCOC(C(NC(C(F)(F)F)=O)CC=C)=O