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L-Alanine, N-(2,6-difluorobenzoyl)-, tridecyl ester

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L-Alanine, N-(2,6-difluorobenzoyl)-, tridecyl ester
SpectraBase Compound ID 317GKSnK3e7
InChI InChI=1S/C23H35F2NO3/c1-3-4-5-6-7-8-9-10-11-12-13-17-29-23(28)18(2)26-22(27)21-19(24)15-14-16-20(21)25/h14-16,18H,3-13,17H2,1-2H3,(H,26,27)
InChIKey FLEJHKLVEGSNEM-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 40zXCBvGP77
Name L-Alanine, N-(2,6-difluorobenzoyl)-, tridecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 411.258500314 u
Formula C23H35F2NO3
InChI InChI=1S/C23H35F2NO3/c1-3-4-5-6-7-8-9-10-11-12-13-17-29-23(28)18(2)26-22(27)21-19(24)15-14-16-20(21)25/h14-16,18H,3-13,17H2,1-2H3,(H,26,27)
InChIKey FLEJHKLVEGSNEM-UHFFFAOYSA-N
Molecular Weight 411.534 g/mol
SMILES C1(=CC=CC(=C1C(NC(C)C(OCCCCCCCCCCCCC)=O)=O)F)F