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L-Leucine, N-heptafluorobutyryl-, nonyl ester
SpectraBase Compound ID DpxWUW1k9oK
InChI InChI=1S/C19H30F7NO3/c1-4-5-6-7-8-9-10-11-30-15(28)14(12-13(2)3)27-16(29)17(20,21)18(22,23)19(24,25)26/h13-14H,4-12H2,1-3H3,(H,27,29)
InChIKey GSSDFXBWEXNRPK-UHFFFAOYSA-N
Mol Weight 453.44 g/mol
Molecular Formula C19H30F7NO3
Exact Mass 453.211391 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4XHu0sNul3g
Name L-Leucine, N-heptafluorobutyryl-, nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 453.211390968 u
Formula C19H30F7NO3
InChI InChI=1S/C19H30F7NO3/c1-4-5-6-7-8-9-10-11-30-15(28)14(12-13(2)3)27-16(29)17(20,21)18(22,23)19(24,25)26/h13-14H,4-12H2,1-3H3,(H,27,29)
InChIKey GSSDFXBWEXNRPK-UHFFFAOYSA-N
Molecular Weight 453.442 g/mol
SMILES C(F)(C(F)(C(C(NC(C(OCCCCCCCCC)=O)CC(C)C)=O)(F)F)F)(F)F