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D-Allylglycine, N-pentafluoropropionyl-, decyl ester

View entire compound with spectra: 1 NMR

D-Allylglycine, N-pentafluoropropionyl-, decyl ester
SpectraBase Compound ID 7iWMdALR1w4
InChI InChI=1S/C18H28F5NO3/c1-3-5-6-7-8-9-10-11-13-27-15(25)14(12-4-2)24-16(26)17(19,20)18(21,22)23/h4,14H,2-3,5-13H2,1H3,(H,24,26)
InChIKey LQFUREASVYNNGD-UHFFFAOYSA-N
Mol Weight 401.42 g/mol
Molecular Formula C18H28F5NO3
Exact Mass 401.198935 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LR7AmFtwJgd
Name D-Allylglycine, N-pentafluoropropionyl-, decyl ester
Comments Computed using HOSE algorithm
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Exact Mass 401.198934578 u
Formula C18H28F5NO3
InChI InChI=1S/C18H28F5NO3/c1-3-5-6-7-8-9-10-11-13-27-15(25)14(12-4-2)24-16(26)17(19,20)18(21,22)23/h4,14H,2-3,5-13H2,1H3,(H,24,26)
InChIKey LQFUREASVYNNGD-UHFFFAOYSA-N
Molecular Weight 401.418 g/mol
SMILES C=CCC(NC(C(C(F)(F)F)(F)F)=O)C(OCCCCCCCCCC)=O