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

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L-Leucine, N-(4-trifluoromethylbenzoyl)-, hexadecyl ester
SpectraBase Compound ID 9hn3J566oqG
InChI InChI=1S/C30H48F3NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-37-29(36)27(23-24(2)3)34-28(35)25-18-20-26(21-19-25)30(31,32)33/h18-21,24,27H,4-17,22-23H2,1-3H3,(H,34,35)
InChIKey UJOSDQNAHRYRJB-UHFFFAOYSA-N
Mol Weight 527.7 g/mol
Molecular Formula C30H48F3NO3
Exact Mass 527.358629 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CAzYilkgwec
Name L-Leucine, N-(4-trifluoromethylbenzoyl)-, hexadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 527.358628896 u
Formula C30H48F3NO3
InChI InChI=1S/C30H48F3NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-37-29(36)27(23-24(2)3)34-28(35)25-18-20-26(21-19-25)30(31,32)33/h18-21,24,27H,4-17,22-23H2,1-3H3,(H,34,35)
InChIKey UJOSDQNAHRYRJB-UHFFFAOYSA-N
Molecular Weight 527.713 g/mol
SMILES C1=CC(=CC=C1C(NC(C(OCCCCCCCCCCCCCCCC)=O)CC(C)C)=O)C(F)(F)F