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

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L-Leucine, N-(2,6-difluorobenzoyl)-, heptadecyl ester
SpectraBase Compound ID 51V3FDo0p7H
InChI InChI=1S/C30H49F2NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-36-30(35)27(23-24(2)3)33-29(34)28-25(31)20-19-21-26(28)32/h19-21,24,27H,4-18,22-23H2,1-3H3,(H,33,34)
InChIKey HQBRTJXICDYDHB-UHFFFAOYSA-N
Mol Weight 509.7 g/mol
Molecular Formula C30H49F2NO3
Exact Mass 509.368051 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BiM5CLxVMLp
Name L-Leucine, N-(2,6-difluorobenzoyl)-, heptadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 509.368050765 u
Formula C30H49F2NO3
InChI InChI=1S/C30H49F2NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-36-30(35)27(23-24(2)3)33-29(34)28-25(31)20-19-21-26(28)32/h19-21,24,27H,4-18,22-23H2,1-3H3,(H,33,34)
InChIKey HQBRTJXICDYDHB-UHFFFAOYSA-N
Molecular Weight 509.723 g/mol
SMILES C1(=CC=CC(=C1C(NC(C(OCCCCCCCCCCCCCCCCC)=O)CC(C)C)=O)F)F