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L-Leucine, N-(2-trifluoromethylbenzoyl)-, undecyl ester

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L-Leucine, N-(2-trifluoromethylbenzoyl)-, undecyl ester
SpectraBase Compound ID KUFJQ810l8N
InChI InChI=1S/C25H38F3NO3/c1-4-5-6-7-8-9-10-11-14-17-32-24(31)22(18-19(2)3)29-23(30)20-15-12-13-16-21(20)25(26,27)28/h12-13,15-16,19,22H,4-11,14,17-18H2,1-3H3,(H,29,30)
InChIKey NKXDDGXJNJISLK-UHFFFAOYSA-N
Mol Weight 457.6 g/mol
Molecular Formula C25H38F3NO3
Exact Mass 457.280379 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9sTcK7FbBBC
Name L-Leucine, N-(2-trifluoromethylbenzoyl)-, undecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 457.280378574 u
Formula C25H38F3NO3
InChI InChI=1S/C25H38F3NO3/c1-4-5-6-7-8-9-10-11-14-17-32-24(31)22(18-19(2)3)29-23(30)20-15-12-13-16-21(20)25(26,27)28/h12-13,15-16,19,22H,4-11,14,17-18H2,1-3H3,(H,29,30)
InChIKey NKXDDGXJNJISLK-UHFFFAOYSA-N
Molecular Weight 457.578 g/mol
SMILES C1=CC=CC(=C1C(NC(C(OCCCCCCCCCCC)=O)CC(C)C)=O)C(F)(F)F