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L-Leucine, N-(2,6-difluorobenzoyl)-, heptyl ester
SpectraBase Compound ID 3CM3oOBUTrZ
InChI InChI=1S/C20H29F2NO3/c1-4-5-6-7-8-12-26-20(25)17(13-14(2)3)23-19(24)18-15(21)10-9-11-16(18)22/h9-11,14,17H,4-8,12-13H2,1-3H3,(H,23,24)
InChIKey UGYVYFMOPWKGEG-UHFFFAOYSA-N
Mol Weight 369.45 g/mol
Molecular Formula C20H29F2NO3
Exact Mass 369.21155 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L7jbMiFyG82
Name L-Leucine, N-(2,6-difluorobenzoyl)-, heptyl ester
Comments Computed using HOSE algorithm
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Exact Mass 369.211550121 u
Formula C20H29F2NO3
InChI InChI=1S/C20H29F2NO3/c1-4-5-6-7-8-12-26-20(25)17(13-14(2)3)23-19(24)18-15(21)10-9-11-16(18)22/h9-11,14,17H,4-8,12-13H2,1-3H3,(H,23,24)
InChIKey UGYVYFMOPWKGEG-UHFFFAOYSA-N
Molecular Weight 369.453 g/mol
SMILES C1(=CC=CC(=C1C(NC(C(OCCCCCCC)=O)CC(C)C)=O)F)F