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L-Allylglycine, N-heptafluorobutyryl-, octyl ester

View entire compound with spectra: 1 NMR

L-Allylglycine, N-heptafluorobutyryl-, octyl ester
SpectraBase Compound ID HMOapiaAdXc
InChI InChI=1S/C17H24F7NO3/c1-3-5-6-7-8-9-11-28-13(26)12(10-4-2)25-14(27)15(18,19)16(20,21)17(22,23)24/h4,12H,2-3,5-11H2,1H3,(H,25,27)
InChIKey IJWBWHNUGNWLMM-UHFFFAOYSA-N
Mol Weight 423.37 g/mol
Molecular Formula C17H24F7NO3
Exact Mass 423.164441 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID vY71DVXpFH
Name L-Allylglycine, N-heptafluorobutyryl-, octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 423.164440775 u
Formula C17H24F7NO3
InChI InChI=1S/C17H24F7NO3/c1-3-5-6-7-8-9-11-28-13(26)12(10-4-2)25-14(27)15(18,19)16(20,21)17(22,23)24/h4,12H,2-3,5-11H2,1H3,(H,25,27)
InChIKey IJWBWHNUGNWLMM-UHFFFAOYSA-N
Molecular Weight 423.372 g/mol
SMILES CCCCCCCCOC(C(NC(=O)C(C(C(F)(F)F)(F)F)(F)F)CC=C)=O