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L-Valine, N-pentafluorobenzoyl-, octyl ester

View entire compound with spectra: 1 NMR

L-Valine, N-pentafluorobenzoyl-, octyl ester
SpectraBase Compound ID um3iTgHkc
InChI InChI=1S/C20H26F5NO3/c1-4-5-6-7-8-9-10-29-20(28)18(11(2)3)26-19(27)12-13(21)15(23)17(25)16(24)14(12)22/h11,18H,4-10H2,1-3H3,(H,26,27)
InChIKey DETTUEPUDKGONU-UHFFFAOYSA-N
Mol Weight 423.42 g/mol
Molecular Formula C20H26F5NO3
Exact Mass 423.183285 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KqD8K0zUrUu
Name L-Valine, N-pentafluorobenzoyl-, octyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 423.183284513 u
Formula C20H26F5NO3
InChI InChI=1S/C20H26F5NO3/c1-4-5-6-7-8-9-10-29-20(28)18(11(2)3)26-19(27)12-13(21)15(23)17(25)16(24)14(12)22/h11,18H,4-10H2,1-3H3,(H,26,27)
InChIKey DETTUEPUDKGONU-UHFFFAOYSA-N
Molecular Weight 423.424 g/mol
SMILES C1(=C(C(=C(C(=C1F)F)C(=O)NC(C(C)C)C(=O)OCCCCCCCC)F)F)F