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L-Isoleucine, N-heptafluorobutyryl-, heptyl ester

View entire compound with spectra: 1 NMR

L-Isoleucine, N-heptafluorobutyryl-, heptyl ester
SpectraBase Compound ID Frk3w7DYNKt
InChI InChI=1S/C17H26F7NO3/c1-4-6-7-8-9-10-28-13(26)12(11(3)5-2)25-14(27)15(18,19)16(20,21)17(22,23)24/h11-12H,4-10H2,1-3H3,(H,25,27)
InChIKey YZXBJVKQDRIDBH-UHFFFAOYSA-N
Mol Weight 425.39 g/mol
Molecular Formula C17H26F7NO3
Exact Mass 425.180091 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Irvm3XkxcwI
Name L-Isoleucine, N-heptafluorobutyryl-, heptyl ester
Comments Computed using HOSE algorithm
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Exact Mass 425.180090839 u
Formula C17H26F7NO3
InChI InChI=1S/C17H26F7NO3/c1-4-6-7-8-9-10-28-13(26)12(11(3)5-2)25-14(27)15(18,19)16(20,21)17(22,23)24/h11-12H,4-10H2,1-3H3,(H,25,27)
InChIKey YZXBJVKQDRIDBH-UHFFFAOYSA-N
Molecular Weight 425.388 g/mol
SMILES CCCCCCCOC(C(NC(C(C(C(F)(F)F)(F)F)(F)F)=O)C(CC)C)=O