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L-Valine, N-(2-fluoro-5-trifluoromethylbenzoyl)-, undecyl ester

View entire compound with spectra: 1 NMR

L-Valine, N-(2-fluoro-5-trifluoromethylbenzoyl)-, undecyl ester
SpectraBase Compound ID KaW3aDlRTXN
InChI InChI=1S/C24H35F4NO3/c1-4-5-6-7-8-9-10-11-12-15-32-23(31)21(17(2)3)29-22(30)19-16-18(24(26,27)28)13-14-20(19)25/h13-14,16-17,21H,4-12,15H2,1-3H3,(H,29,30)
InChIKey QAAIVDPBHYKNQM-UHFFFAOYSA-N
Mol Weight 461.5 g/mol
Molecular Formula C24H35F4NO3
Exact Mass 461.255307 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H0YxEU85SNJ
Name L-Valine, N-(2-fluoro-5-trifluoromethylbenzoyl)-, undecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 461.255306640 u
Formula C24H35F4NO3
InChI InChI=1S/C24H35F4NO3/c1-4-5-6-7-8-9-10-11-12-15-32-23(31)21(17(2)3)29-22(30)19-16-18(24(26,27)28)13-14-20(19)25/h13-14,16-17,21H,4-12,15H2,1-3H3,(H,29,30)
InChIKey QAAIVDPBHYKNQM-UHFFFAOYSA-N
Molecular Weight 461.542 g/mol
SMILES C(C1=CC=C(C(=C1)C(NC(C(C)C)C(=O)OCCCCCCCCCCC)=O)F)(F)(F)F