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L-Proline, N-(2,6-difluorobenzoyl)-, pentadecyl ester
SpectraBase Compound ID JclTmGlQfbE
InChI InChI=1S/C27H41F2NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-33-27(32)24-19-16-20-30(24)26(31)25-22(28)17-15-18-23(25)29/h15,17-18,24H,2-14,16,19-21H2,1H3
InChIKey GXDNDIBQXGYHLH-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 3hcv6ZiIZiD
Name L-Proline, N-(2,6-difluorobenzoyl)-, pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 465.305450507 u
Formula C27H41F2NO3
InChI InChI=1S/C27H41F2NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-33-27(32)24-19-16-20-30(24)26(31)25-22(28)17-15-18-23(25)29/h15,17-18,24H,2-14,16,19-21H2,1H3
InChIKey GXDNDIBQXGYHLH-UHFFFAOYSA-N
Molecular Weight 465.626 g/mol
SMILES C1=CC=C(C(=C1F)C(N1CCCC1C(=O)OCCCCCCCCCCCCCCC)=O)F