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

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L-Leucine, N-(4-trifluoromethylbenzoyl)-, heptadecyl ester
SpectraBase Compound ID LuKOBSejIL5
InChI InChI=1S/C31H50F3NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-38-30(37)28(24-25(2)3)35-29(36)26-19-21-27(22-20-26)31(32,33)34/h19-22,25,28H,4-18,23-24H2,1-3H3,(H,35,36)
InChIKey WIQUQMLAIWGLCR-UHFFFAOYSA-N
Mol Weight 541.7 g/mol
Molecular Formula C31H50F3NO3
Exact Mass 541.374279 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D1J8rTq7Ocs
Name L-Leucine, N-(4-trifluoromethylbenzoyl)-, heptadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 541.374278960 u
Formula C31H50F3NO3
InChI InChI=1S/C31H50F3NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-38-30(37)28(24-25(2)3)35-29(36)26-19-21-27(22-20-26)31(32,33)34/h19-22,25,28H,4-18,23-24H2,1-3H3,(H,35,36)
InChIKey WIQUQMLAIWGLCR-UHFFFAOYSA-N
Molecular Weight 541.740 g/mol
SMILES C1=CC(=CC=C1C(NC(C(OCCCCCCCCCCCCCCCCC)=O)CC(C)C)=O)C(F)(F)F