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

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L-Valine, N-(2,6-difluorobenzoyl)-, hexadecyl ester
SpectraBase Compound ID JdPNSDGcNMh
InChI InChI=1S/C28H45F2NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-34-28(33)26(22(2)3)31-27(32)25-23(29)19-18-20-24(25)30/h18-20,22,26H,4-17,21H2,1-3H3,(H,31,32)
InChIKey CMEWEZUZQLXOIU-UHFFFAOYSA-N
Mol Weight 481.7 g/mol
Molecular Formula C28H45F2NO3
Exact Mass 481.336751 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G0vFORbIKwX
Name L-Valine, N-(2,6-difluorobenzoyl)-, hexadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 481.336750636 u
Formula C28H45F2NO3
InChI InChI=1S/C28H45F2NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-34-28(33)26(22(2)3)31-27(32)25-23(29)19-18-20-24(25)30/h18-20,22,26H,4-17,21H2,1-3H3,(H,31,32)
InChIKey CMEWEZUZQLXOIU-UHFFFAOYSA-N
Molecular Weight 481.669 g/mol
SMILES C1=CC=C(C(=C1F)C(NC(C(C)C)C(=O)OCCCCCCCCCCCCCCCC)=O)F