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L-Leucine, N-(2,6-difluorobenzoyl)-, undecyl ester

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L-Leucine, N-(2,6-difluorobenzoyl)-, undecyl ester
SpectraBase Compound ID 5Sc8hVrFFDG
InChI InChI=1S/C24H37F2NO3/c1-4-5-6-7-8-9-10-11-12-16-30-24(29)21(17-18(2)3)27-23(28)22-19(25)14-13-15-20(22)26/h13-15,18,21H,4-12,16-17H2,1-3H3,(H,27,28)
InChIKey LVOZDQWFJRVAJT-UHFFFAOYSA-N
Mol Weight 425.6 g/mol
Molecular Formula C24H37F2NO3
Exact Mass 425.27415 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FQeTkJ2o12j
Name L-Leucine, N-(2,6-difluorobenzoyl)-, undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 425.274150378 u
Formula C24H37F2NO3
InChI InChI=1S/C24H37F2NO3/c1-4-5-6-7-8-9-10-11-12-16-30-24(29)21(17-18(2)3)27-23(28)22-19(25)14-13-15-20(22)26/h13-15,18,21H,4-12,16-17H2,1-3H3,(H,27,28)
InChIKey LVOZDQWFJRVAJT-UHFFFAOYSA-N
Molecular Weight 425.561 g/mol
SMILES C1(=CC=CC(=C1C(NC(C(OCCCCCCCCCCC)=O)CC(C)C)=O)F)F