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

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L-Leucine, N-(2-trifluoromethylbenzoyl)-, octyl ester
SpectraBase Compound ID K4kDM4LZ9f2
InChI InChI=1S/C22H32F3NO3/c1-4-5-6-7-8-11-14-29-21(28)19(15-16(2)3)26-20(27)17-12-9-10-13-18(17)22(23,24)25/h9-10,12-13,16,19H,4-8,11,14-15H2,1-3H3,(H,26,27)
InChIKey MVXUKLGYHQOCQE-UHFFFAOYSA-N
Mol Weight 415.5 g/mol
Molecular Formula C22H32F3NO3
Exact Mass 415.233428 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6pRfqVSyCJJ
Name L-Leucine, N-(2-trifluoromethylbenzoyl)-, octyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 415.233428380 u
Formula C22H32F3NO3
InChI InChI=1S/C22H32F3NO3/c1-4-5-6-7-8-11-14-29-21(28)19(15-16(2)3)26-20(27)17-12-9-10-13-18(17)22(23,24)25/h9-10,12-13,16,19H,4-8,11,14-15H2,1-3H3,(H,26,27)
InChIKey MVXUKLGYHQOCQE-UHFFFAOYSA-N
Molecular Weight 415.497 g/mol
SMILES C1=CC=CC(=C1C(NC(CC(C)C)C(OCCCCCCCC)=O)=O)C(F)(F)F