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L-Leucine, N-heptafluorobutyryl-, hexyl ester

View entire compound with spectra: 1 NMR

L-Leucine, N-heptafluorobutyryl-, hexyl ester
SpectraBase Compound ID 2GIHA6AlRET
InChI InChI=1S/C16H24F7NO3/c1-4-5-6-7-8-27-12(25)11(9-10(2)3)24-13(26)14(17,18)15(19,20)16(21,22)23/h10-11H,4-9H2,1-3H3,(H,24,26)
InChIKey UKJDZPPETVYEFP-UHFFFAOYSA-N
Mol Weight 411.36 g/mol
Molecular Formula C16H24F7NO3
Exact Mass 411.164441 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HA9pEofbv6j
Name L-Leucine, N-heptafluorobutyryl-, hexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 411.164440775 u
Formula C16H24F7NO3
InChI InChI=1S/C16H24F7NO3/c1-4-5-6-7-8-27-12(25)11(9-10(2)3)24-13(26)14(17,18)15(19,20)16(21,22)23/h10-11H,4-9H2,1-3H3,(H,24,26)
InChIKey UKJDZPPETVYEFP-UHFFFAOYSA-N
Molecular Weight 411.361 g/mol
SMILES CCCCCCOC(C(NC(C(C(C(F)(F)F)(F)F)(F)F)=O)CC(C)C)=O