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

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L-Leucine, N-(2,6-difluorobenzoyl)-, decyl ester
SpectraBase Compound ID 9SpkZNhaaZs
InChI InChI=1S/C23H35F2NO3/c1-4-5-6-7-8-9-10-11-15-29-23(28)20(16-17(2)3)26-22(27)21-18(24)13-12-14-19(21)25/h12-14,17,20H,4-11,15-16H2,1-3H3,(H,26,27)
InChIKey IUDAOXWFZVZRDI-UHFFFAOYSA-N
Mol Weight 411.5 g/mol
Molecular Formula C23H35F2NO3
Exact Mass 411.2585 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 94fLQkHs9TJ
Name L-Leucine, N-(2,6-difluorobenzoyl)-, decyl ester
Comments Computed using HOSE algorithm
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Exact Mass 411.258500314 u
Formula C23H35F2NO3
InChI InChI=1S/C23H35F2NO3/c1-4-5-6-7-8-9-10-11-15-29-23(28)20(16-17(2)3)26-22(27)21-18(24)13-12-14-19(21)25/h12-14,17,20H,4-11,15-16H2,1-3H3,(H,26,27)
InChIKey IUDAOXWFZVZRDI-UHFFFAOYSA-N
Molecular Weight 411.534 g/mol
SMILES C1(=CC=CC(=C1C(NC(C(OCCCCCCCCCC)=O)CC(C)C)=O)F)F