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L-Valine, N-pentafluoropropionyl-, undecyl ester

View entire compound with spectra: 1 NMR

L-Valine, N-pentafluoropropionyl-, undecyl ester
SpectraBase Compound ID Ifnbnf0rIrg
InChI InChI=1S/C19H32F5NO3/c1-4-5-6-7-8-9-10-11-12-13-28-16(26)15(14(2)3)25-17(27)18(20,21)19(22,23)24/h14-15H,4-13H2,1-3H3,(H,25,27)
InChIKey KBSKAAMVBRAHSU-UHFFFAOYSA-N
Mol Weight 417.5 g/mol
Molecular Formula C19H32F5NO3
Exact Mass 417.230235 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F1wO5KdIaDM
Name L-Valine, N-pentafluoropropionyl-, undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 417.230234706 u
Formula C19H32F5NO3
InChI InChI=1S/C19H32F5NO3/c1-4-5-6-7-8-9-10-11-12-13-28-16(26)15(14(2)3)25-17(27)18(20,21)19(22,23)24/h14-15H,4-13H2,1-3H3,(H,25,27)
InChIKey KBSKAAMVBRAHSU-UHFFFAOYSA-N
Molecular Weight 417.461 g/mol
SMILES CCCCCCCCCCCOC(C(NC(C(C(F)(F)F)(F)F)=O)C(C)C)=O