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L-Valine, N-pentafluorobenzoyl-, hexyl ester

View entire compound with spectra: 1 NMR

L-Valine, N-pentafluorobenzoyl-, hexyl ester
SpectraBase Compound ID 6oGIiYUJDr4
InChI InChI=1S/C18H22F5NO3/c1-4-5-6-7-8-27-18(26)16(9(2)3)24-17(25)10-11(19)13(21)15(23)14(22)12(10)20/h9,16H,4-8H2,1-3H3,(H,24,25)
InChIKey METAZXMPMHJCPX-UHFFFAOYSA-N
Mol Weight 395.37 g/mol
Molecular Formula C18H22F5NO3
Exact Mass 395.151984 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5x0V8TReo75
Name L-Valine, N-pentafluorobenzoyl-, hexyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 395.151984384 u
Formula C18H22F5NO3
InChI InChI=1S/C18H22F5NO3/c1-4-5-6-7-8-27-18(26)16(9(2)3)24-17(25)10-11(19)13(21)15(23)14(22)12(10)20/h9,16H,4-8H2,1-3H3,(H,24,25)
InChIKey METAZXMPMHJCPX-UHFFFAOYSA-N
Molecular Weight 395.370 g/mol
SMILES C1(=C(C(=C(C(=C1F)F)C(=O)NC(C(C)C)C(=O)OCCCCCC)F)F)F