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L-Valine, N-(3-trifluoromethylbenzoyl)-, pentadecyl ester

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L-Valine, N-(3-trifluoromethylbenzoyl)-, pentadecyl ester
SpectraBase Compound ID Aic4aD6MRl4
InChI InChI=1S/C28H44F3NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-35-27(34)25(22(2)3)32-26(33)23-18-17-19-24(21-23)28(29,30)31/h17-19,21-22,25H,4-16,20H2,1-3H3,(H,32,33)
InChIKey KPFDUOLYSQBMEJ-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 HtTfj4XQHYh
Name L-Valine, N-(3-trifluoromethylbenzoyl)-, pentadecyl 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/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-35-27(34)25(22(2)3)32-26(33)23-18-17-19-24(21-23)28(29,30)31/h17-19,21-22,25H,4-16,20H2,1-3H3,(H,32,33)
InChIKey KPFDUOLYSQBMEJ-UHFFFAOYSA-N
Molecular Weight 499.659 g/mol
SMILES C(C1=CC=CC(=C1)C(NC(C(C)C)C(=O)OCCCCCCCCCCCCCCC)=O)(F)(F)F