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L-Valine, N-(3,4-difluorobenzoyl)-, pentadecyl ester

View entire compound with spectra: 1 NMR

L-Valine, N-(3,4-difluorobenzoyl)-, pentadecyl ester
SpectraBase Compound ID LpfjbDWHxGb
InChI InChI=1S/C27H43F2NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-33-27(32)25(21(2)3)30-26(31)22-17-18-23(28)24(29)20-22/h17-18,20-21,25H,4-16,19H2,1-3H3,(H,30,31)
InChIKey IVDXANGDFIHJKS-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 1CnN58nQBCr
Name L-Valine, N-(3,4-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/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-33-27(32)25(21(2)3)30-26(31)22-17-18-23(28)24(29)20-22/h17-18,20-21,25H,4-16,19H2,1-3H3,(H,30,31)
InChIKey IVDXANGDFIHJKS-UHFFFAOYSA-N
Molecular Weight 467.642 g/mol
SMILES C1(=C(C=C(C=C1)C(NC(C(C)C)C(=O)OCCCCCCCCCCCCCCC)=O)F)F