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

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L-Valine, N-(2,6-difluorobenzoyl)-, heptadecyl ester
SpectraBase Compound ID 16hDxn2OHAj
InChI InChI=1S/C29H47F2NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-35-29(34)27(23(2)3)32-28(33)26-24(30)20-19-21-25(26)31/h19-21,23,27H,4-18,22H2,1-3H3,(H,32,33)
InChIKey UNMPGZMFYWXAOD-UHFFFAOYSA-N
Mol Weight 495.7 g/mol
Molecular Formula C29H47F2NO3
Exact Mass 495.352401 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 961nVbFVZ4b
Name L-Valine, N-(2,6-difluorobenzoyl)-, heptadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 495.352400700 u
Formula C29H47F2NO3
InChI InChI=1S/C29H47F2NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-35-29(34)27(23(2)3)32-28(33)26-24(30)20-19-21-25(26)31/h19-21,23,27H,4-18,22H2,1-3H3,(H,32,33)
InChIKey UNMPGZMFYWXAOD-UHFFFAOYSA-N
Molecular Weight 495.696 g/mol
SMILES C1(=C(C(=CC=C1)F)C(NC(C(C)C)C(=O)OCCCCCCCCCCCCCCCCC)=O)F