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D-Allylglycine, N-heptafluorobutyryl-, undecyl ester

View entire compound with spectra: 1 NMR

D-Allylglycine, N-heptafluorobutyryl-, undecyl ester
SpectraBase Compound ID BoknBRQbBtq
InChI InChI=1S/C20H30F7NO3/c1-3-5-6-7-8-9-10-11-12-14-31-16(29)15(13-4-2)28-17(30)18(21,22)19(23,24)20(25,26)27/h4,15H,2-3,5-14H2,1H3,(H,28,30)
InChIKey HKOJOVKQHLGFME-UHFFFAOYSA-N
Mol Weight 465.45 g/mol
Molecular Formula C20H30F7NO3
Exact Mass 465.211391 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8Whb8bYjemu
Name D-Allylglycine, N-heptafluorobutyryl-, undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 465.211390968 u
Formula C20H30F7NO3
InChI InChI=1S/C20H30F7NO3/c1-3-5-6-7-8-9-10-11-12-14-31-16(29)15(13-4-2)28-17(30)18(21,22)19(23,24)20(25,26)27/h4,15H,2-3,5-14H2,1H3,(H,28,30)
InChIKey HKOJOVKQHLGFME-UHFFFAOYSA-N
Molecular Weight 465.453 g/mol
SMILES C(CCCCCCCCOC(C(NC(=O)C(C(C(F)(F)F)(F)F)(F)F)CC=C)=O)CC