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L-Valine, N-pentafluoropropionyl-, heptadecyl ester

View entire compound with spectra: 1 NMR

L-Valine, N-pentafluoropropionyl-, heptadecyl ester
SpectraBase Compound ID 9uDDt1lEPsq
InChI InChI=1S/C25H44F5NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-34-22(32)21(20(2)3)31-23(33)24(26,27)25(28,29)30/h20-21H,4-19H2,1-3H3,(H,31,33)
InChIKey FXXPUBXFMPUUJU-UHFFFAOYSA-N
Mol Weight 501.6 g/mol
Molecular Formula C25H44F5NO3
Exact Mass 501.324135 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HggBOl13UVl
Name L-Valine, N-pentafluoropropionyl-, heptadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 501.324135093 u
Formula C25H44F5NO3
InChI InChI=1S/C25H44F5NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-34-22(32)21(20(2)3)31-23(33)24(26,27)25(28,29)30/h20-21H,4-19H2,1-3H3,(H,31,33)
InChIKey FXXPUBXFMPUUJU-UHFFFAOYSA-N
Molecular Weight 501.623 g/mol
SMILES CCCCCCCCCCCCCCCCCOC(C(NC(C(C(F)(F)F)(F)F)=O)C(C)C)=O