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L-Valine, N-(2,5-difluorobenzoyl)-, tetradecyl ester

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L-Valine, N-(2,5-difluorobenzoyl)-, tetradecyl ester
SpectraBase Compound ID rVdjFUeI59
InChI InChI=1S/C26H41F2NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-32-26(31)24(20(2)3)29-25(30)22-19-21(27)16-17-23(22)28/h16-17,19-20,24H,4-15,18H2,1-3H3,(H,29,30)
InChIKey NXOCDXFNJJZHIZ-UHFFFAOYSA-N
Mol Weight 453.6 g/mol
Molecular Formula C26H41F2NO3
Exact Mass 453.305451 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L2WaJz8BTji
Name L-Valine, N-(2,5-difluorobenzoyl)-, tetradecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 453.305450507 u
Formula C26H41F2NO3
InChI InChI=1S/C26H41F2NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-32-26(31)24(20(2)3)29-25(30)22-19-21(27)16-17-23(22)28/h16-17,19-20,24H,4-15,18H2,1-3H3,(H,29,30)
InChIKey NXOCDXFNJJZHIZ-UHFFFAOYSA-N
Molecular Weight 453.615 g/mol
SMILES C1(=CC=C(C(=C1)C(NC(C(C)C)C(=O)OCCCCCCCCCCCCCC)=O)F)F