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L-Valine, N-pentafluorobenzoyl-, undecyl ester

View entire compound with spectra: 1 NMR

L-Valine, N-pentafluorobenzoyl-, undecyl ester
SpectraBase Compound ID JmJPKf6P7eH
InChI InChI=1S/C23H32F5NO3/c1-4-5-6-7-8-9-10-11-12-13-32-23(31)21(14(2)3)29-22(30)15-16(24)18(26)20(28)19(27)17(15)25/h14,21H,4-13H2,1-3H3,(H,29,30)
InChIKey SOLAQYMMGDGPKS-UHFFFAOYSA-N
Mol Weight 465.5 g/mol
Molecular Formula C23H32F5NO3
Exact Mass 465.230235 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 37a4AShZGBb
Name L-Valine, N-pentafluorobenzoyl-, undecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 465.230234706 u
Formula C23H32F5NO3
InChI InChI=1S/C23H32F5NO3/c1-4-5-6-7-8-9-10-11-12-13-32-23(31)21(14(2)3)29-22(30)15-16(24)18(26)20(28)19(27)17(15)25/h14,21H,4-13H2,1-3H3,(H,29,30)
InChIKey SOLAQYMMGDGPKS-UHFFFAOYSA-N
Molecular Weight 465.505 g/mol
SMILES C1(=C(C(=C(C(=C1F)F)C(=O)NC(C(C)C)C(=O)OCCCCCCCCCCC)F)F)F