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

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L-Leucine, N-(2-trifluoromethylbenzoyl)-, pentadecyl ester
SpectraBase Compound ID 7rxJzf5m7c2
InChI InChI=1S/C29H46F3NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-21-36-28(35)26(22-23(2)3)33-27(34)24-19-16-17-20-25(24)29(30,31)32/h16-17,19-20,23,26H,4-15,18,21-22H2,1-3H3,(H,33,34)
InChIKey VQQWFBMBNMXANJ-UHFFFAOYSA-N
Mol Weight 513.7 g/mol
Molecular Formula C29H46F3NO3
Exact Mass 513.342979 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EF4fX2jBH6v
Name L-Leucine, N-(2-trifluoromethylbenzoyl)-, pentadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 513.342978831 u
Formula C29H46F3NO3
InChI InChI=1S/C29H46F3NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-21-36-28(35)26(22-23(2)3)33-27(34)24-19-16-17-20-25(24)29(30,31)32/h16-17,19-20,23,26H,4-15,18,21-22H2,1-3H3,(H,33,34)
InChIKey VQQWFBMBNMXANJ-UHFFFAOYSA-N
Molecular Weight 513.686 g/mol
SMILES C1=CC=CC(=C1C(NC(C(OCCCCCCCCCCCCCCC)=O)CC(C)C)=O)C(F)(F)F