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L-Leucine, N-pentafluorobenzoyl-, heptyl ester

View entire compound with spectra: 1 NMR

L-Leucine, N-pentafluorobenzoyl-, heptyl ester
SpectraBase Compound ID HPXwTohiIrp
InChI InChI=1S/C20H26F5NO3/c1-4-5-6-7-8-9-29-20(28)12(10-11(2)3)26-19(27)13-14(21)16(23)18(25)17(24)15(13)22/h11-12H,4-10H2,1-3H3,(H,26,27)
InChIKey BVCZUVXBNIQBFH-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 1FEkAsahsIL
Name L-Leucine, N-pentafluorobenzoyl-, heptyl 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/c1-4-5-6-7-8-9-29-20(28)12(10-11(2)3)26-19(27)13-14(21)16(23)18(25)17(24)15(13)22/h11-12H,4-10H2,1-3H3,(H,26,27)
InChIKey BVCZUVXBNIQBFH-UHFFFAOYSA-N
Molecular Weight 423.424 g/mol
SMILES C1(=C(C(=C(C(=C1C(NC(C(OCCCCCCC)=O)CC(C)C)=O)F)F)F)F)F