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D-Allylglycine, N-heptafluorobutyryl-, decyl ester

View entire compound with spectra: 1 NMR

D-Allylglycine, N-heptafluorobutyryl-, decyl ester
SpectraBase Compound ID EUbiR3DNZUN
InChI InChI=1S/C19H28F7NO3/c1-3-5-6-7-8-9-10-11-13-30-15(28)14(12-4-2)27-16(29)17(20,21)18(22,23)19(24,25)26/h4,14H,2-3,5-13H2,1H3,(H,27,29)
InChIKey DXJBBGVFRBLWAV-UHFFFAOYSA-N
Mol Weight 451.43 g/mol
Molecular Formula C19H28F7NO3
Exact Mass 451.195741 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FsuxMrKhVET
Name D-Allylglycine, N-heptafluorobutyryl-, decyl ester
Comments Computed using HOSE algorithm
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Exact Mass 451.195740904 u
Formula C19H28F7NO3
InChI InChI=1S/C19H28F7NO3/c1-3-5-6-7-8-9-10-11-13-30-15(28)14(12-4-2)27-16(29)17(20,21)18(22,23)19(24,25)26/h4,14H,2-3,5-13H2,1H3,(H,27,29)
InChIKey DXJBBGVFRBLWAV-UHFFFAOYSA-N
Molecular Weight 451.426 g/mol
SMILES C(CCCCCCCCOC(C(NC(=O)C(C(C(F)(F)F)(F)F)(F)F)CC=C)=O)C