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D-Allylglycine, N-pentafluoropropionyl-, dodecyl ester

View entire compound with spectra: 1 NMR

D-Allylglycine, N-pentafluoropropionyl-, dodecyl ester
SpectraBase Compound ID GZ3a1rl1Hcx
InChI InChI=1S/C20H32F5NO3/c1-3-5-6-7-8-9-10-11-12-13-15-29-17(27)16(14-4-2)26-18(28)19(21,22)20(23,24)25/h4,16H,2-3,5-15H2,1H3,(H,26,28)
InChIKey DFHDZSQKIHSBSE-UHFFFAOYSA-N
Mol Weight 429.5 g/mol
Molecular Formula C20H32F5NO3
Exact Mass 429.230235 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D2JcgJSM48l
Name D-Allylglycine, N-pentafluoropropionyl-, dodecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 429.230234706 u
Formula C20H32F5NO3
InChI InChI=1S/C20H32F5NO3/c1-3-5-6-7-8-9-10-11-12-13-15-29-17(27)16(14-4-2)26-18(28)19(21,22)20(23,24)25/h4,16H,2-3,5-15H2,1H3,(H,26,28)
InChIKey DFHDZSQKIHSBSE-UHFFFAOYSA-N
Molecular Weight 429.472 g/mol
SMILES CCCCCCCCCCCCOC(C(NC(C(C(F)(F)F)(F)F)=O)CC=C)=O