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L-Leucine, N-pentafluorobenzoyl-. octyl ester

View entire compound with spectra: 1 NMR

L-Leucine, N-pentafluorobenzoyl-. octyl ester
SpectraBase Compound ID 7shhwWvryug
InChI InChI=1S/C21H28F5NO3/c1-4-5-6-7-8-9-10-30-21(29)13(11-12(2)3)27-20(28)14-15(22)17(24)19(26)18(25)16(14)23/h12-13H,4-11H2,1-3H3,(H,27,28)
InChIKey CFQWFYDFOHQYPL-UHFFFAOYSA-N
Mol Weight 437.45 g/mol
Molecular Formula C21H28F5NO3
Exact Mass 437.198935 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KIxIsuu7pyG
Name L-Leucine, N-pentafluorobenzoyl-. octyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 437.198934578 u
Formula C21H28F5NO3
InChI InChI=1S/C21H28F5NO3/c1-4-5-6-7-8-9-10-30-21(29)13(11-12(2)3)27-20(28)14-15(22)17(24)19(26)18(25)16(14)23/h12-13H,4-11H2,1-3H3,(H,27,28)
InChIKey CFQWFYDFOHQYPL-UHFFFAOYSA-N
Molecular Weight 437.451 g/mol
SMILES C1(=C(C(=C(C(=C1C(NC(C(OCCCCCCCC)=O)CC(C)C)=O)F)F)F)F)F