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L-Leucine, N-(4-trifluoromethylbenzoyl)-, tetradecyl ester

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L-Leucine, N-(4-trifluoromethylbenzoyl)-, tetradecyl ester
SpectraBase Compound ID LtOaIKei7ZG
InChI InChI=1S/C28H44F3NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-20-35-27(34)25(21-22(2)3)32-26(33)23-16-18-24(19-17-23)28(29,30)31/h16-19,22,25H,4-15,20-21H2,1-3H3,(H,32,33)
InChIKey VWGISOKRORGCIM-UHFFFAOYSA-N
Mol Weight 499.7 g/mol
Molecular Formula C28H44F3NO3
Exact Mass 499.327329 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ckac5IGwRuF
Name L-Leucine, N-(4-trifluoromethylbenzoyl)-, tetradecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 499.327328767 u
Formula C28H44F3NO3
InChI InChI=1S/C28H44F3NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-20-35-27(34)25(21-22(2)3)32-26(33)23-16-18-24(19-17-23)28(29,30)31/h16-19,22,25H,4-15,20-21H2,1-3H3,(H,32,33)
InChIKey VWGISOKRORGCIM-UHFFFAOYSA-N
Molecular Weight 499.659 g/mol
SMILES C1=CC(=CC=C1C(NC(C(OCCCCCCCCCCCCCC)=O)CC(C)C)=O)C(F)(F)F