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L-Proline, N-(2,4-difluorobenzoyl)-, pentadecyl ester
SpectraBase Compound ID EsBg1dNCOFA
InChI InChI=1S/C27H41F2NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-33-27(32)25-16-15-19-30(25)26(31)23-18-17-22(28)21-24(23)29/h17-18,21,25H,2-16,19-20H2,1H3
InChIKey FTKAXAADANXLHT-UHFFFAOYSA-N
Mol Weight 465.6 g/mol
Molecular Formula C27H41F2NO3
Exact Mass 465.305451 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4GtSUaPhZQ1
Name L-Proline, N-(2,4-difluorobenzoyl)-, pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 465.305450507 u
Formula C27H41F2NO3
InChI InChI=1S/C27H41F2NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-33-27(32)25-16-15-19-30(25)26(31)23-18-17-22(28)21-24(23)29/h17-18,21,25H,2-16,19-20H2,1H3
InChIKey FTKAXAADANXLHT-UHFFFAOYSA-N
Molecular Weight 465.626 g/mol
SMILES C1=C(C(=CC=C1F)C(N1CCCC1C(=O)OCCCCCCCCCCCCCCC)=O)F