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L-Leucine, N-heptafluorobutyryl-, octyl ester

View entire compound with spectra: 1 NMR

L-Leucine, N-heptafluorobutyryl-, octyl ester
SpectraBase Compound ID LFKGBO3QRli
InChI InChI=1S/C18H28F7NO3/c1-4-5-6-7-8-9-10-29-14(27)13(11-12(2)3)26-15(28)16(19,20)17(21,22)18(23,24)25/h12-13H,4-11H2,1-3H3,(H,26,28)
InChIKey MGMOOJPVOJQGMU-UHFFFAOYSA-N
Mol Weight 439.41 g/mol
Molecular Formula C18H28F7NO3
Exact Mass 439.195741 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LObaAw1fcB8
Name L-Leucine, N-heptafluorobutyryl-, octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 439.195740904 u
Formula C18H28F7NO3
InChI InChI=1S/C18H28F7NO3/c1-4-5-6-7-8-9-10-29-14(27)13(11-12(2)3)26-15(28)16(19,20)17(21,22)18(23,24)25/h12-13H,4-11H2,1-3H3,(H,26,28)
InChIKey MGMOOJPVOJQGMU-UHFFFAOYSA-N
Molecular Weight 439.415 g/mol
SMILES CCCCCCCCOC(C(NC(C(C(C(F)(F)F)(F)F)(F)F)=O)CC(C)C)=O