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L-Valine, N-(2,6-difluorobenzoyl)-, pentadecyl ester

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L-Valine, N-(2,6-difluorobenzoyl)-, pentadecyl ester
SpectraBase Compound ID HvL8wTSOjzv
InChI InChI=1S/C27H43F2NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-33-27(32)25(21(2)3)30-26(31)24-22(28)18-17-19-23(24)29/h17-19,21,25H,4-16,20H2,1-3H3,(H,30,31)
InChIKey PVGCDZNJOXCUAI-UHFFFAOYSA-N
Mol Weight 467.6 g/mol
Molecular Formula C27H43F2NO3
Exact Mass 467.321101 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LnCkH7Wu9IB
Name L-Valine, N-(2,6-difluorobenzoyl)-, pentadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 467.321100572 u
Formula C27H43F2NO3
InChI InChI=1S/C27H43F2NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-33-27(32)25(21(2)3)30-26(31)24-22(28)18-17-19-23(24)29/h17-19,21,25H,4-16,20H2,1-3H3,(H,30,31)
InChIKey PVGCDZNJOXCUAI-UHFFFAOYSA-N
Molecular Weight 467.642 g/mol
SMILES C1=CC=C(C(=C1F)C(NC(C(C)C)C(=O)OCCCCCCCCCCCCCCC)=O)F