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L-Proline, N-(3,4-difluorobenzoyl)-, tetradecyl ester

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L-Proline, N-(3,4-difluorobenzoyl)-, tetradecyl ester
SpectraBase Compound ID 3KzwJZTf2U
InChI InChI=1S/C26H39F2NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-19-32-26(31)24-15-14-18-29(24)25(30)21-16-17-22(27)23(28)20-21/h16-17,20,24H,2-15,18-19H2,1H3
InChIKey CSRFSBXLYMWTHQ-UHFFFAOYSA-N
Mol Weight 451.6 g/mol
Molecular Formula C26H39F2NO3
Exact Mass 451.2898 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5ZoqJkvhzHj
Name L-Proline, N-(3,4-difluorobenzoyl)-, tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 451.289800443 u
Formula C26H39F2NO3
InChI InChI=1S/C26H39F2NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-19-32-26(31)24-15-14-18-29(24)25(30)21-16-17-22(27)23(28)20-21/h16-17,20,24H,2-15,18-19H2,1H3
InChIKey CSRFSBXLYMWTHQ-UHFFFAOYSA-N
Molecular Weight 451.599 g/mol
SMILES C1(=CC(=CC=C1F)C(N1CCCC1C(=O)OCCCCCCCCCCCCCC)=O)F