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L-Valine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, undecyl ester

View entire compound with spectra: 1 NMR

L-Valine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, undecyl ester
SpectraBase Compound ID 1qgOycNiFAa
InChI InChI=1S/C24H35F4NO3/c1-4-5-6-7-8-9-10-11-12-16-32-23(31)21(17(2)3)29-22(30)18-14-13-15-19(20(18)25)24(26,27)28/h13-15,17,21H,4-12,16H2,1-3H3,(H,29,30)
InChIKey DEZZPDXOADLPPV-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 53JjSQ03cpI
Name L-Valine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 461.255306640 u
Formula C24H35F4NO3
InChI InChI=1S/C24H35F4NO3/c1-4-5-6-7-8-9-10-11-12-16-32-23(31)21(17(2)3)29-22(30)18-14-13-15-19(20(18)25)24(26,27)28/h13-15,17,21H,4-12,16H2,1-3H3,(H,29,30)
InChIKey DEZZPDXOADLPPV-UHFFFAOYSA-N
Molecular Weight 461.542 g/mol
SMILES C1(=C(C=CC=C1C(F)(F)F)C(NC(C(C)C)C(=O)OCCCCCCCCCCC)=O)F