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

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L-Leucine, N-(2,6-difluorobenzoyl)-, nonyl ester
SpectraBase Compound ID JfNeSki16Om
InChI InChI=1S/C22H33F2NO3/c1-4-5-6-7-8-9-10-14-28-22(27)19(15-16(2)3)25-21(26)20-17(23)12-11-13-18(20)24/h11-13,16,19H,4-10,14-15H2,1-3H3,(H,25,26)
InChIKey QJDWMPASPIMHII-UHFFFAOYSA-N
Mol Weight 397.5 g/mol
Molecular Formula C22H33F2NO3
Exact Mass 397.24285 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1bxmeqTId6D
Name L-Leucine, N-(2,6-difluorobenzoyl)-, nonyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 397.242850250 u
Formula C22H33F2NO3
InChI InChI=1S/C22H33F2NO3/c1-4-5-6-7-8-9-10-14-28-22(27)19(15-16(2)3)25-21(26)20-17(23)12-11-13-18(20)24/h11-13,16,19H,4-10,14-15H2,1-3H3,(H,25,26)
InChIKey QJDWMPASPIMHII-UHFFFAOYSA-N
Molecular Weight 397.507 g/mol
SMILES C1(=CC=CC(=C1C(NC(C(OCCCCCCCCC)=O)CC(C)C)=O)F)F