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L-Proline, N-(4-fluorobenzoyl)-, pentadecyl ester

View entire compound with spectra: 1 NMR

L-Proline, N-(4-fluorobenzoyl)-, pentadecyl ester
SpectraBase Compound ID BP7LusMexpX
InChI InChI=1S/C27H42FNO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-22-32-27(31)25-16-15-21-29(25)26(30)23-17-19-24(28)20-18-23/h17-20,25H,2-16,21-22H2,1H3
InChIKey FFKMZNYRKRLRGM-UHFFFAOYSA-N
Mol Weight 447.6 g/mol
Molecular Formula C27H42FNO3
Exact Mass 447.314872 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L4ikpKXF7Ss
Name L-Proline, N-(4-fluorobenzoyl)-, pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 447.314872376 u
Formula C27H42FNO3
InChI InChI=1S/C27H42FNO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-22-32-27(31)25-16-15-21-29(25)26(30)23-17-19-24(28)20-18-23/h17-20,25H,2-16,21-22H2,1H3
InChIKey FFKMZNYRKRLRGM-UHFFFAOYSA-N
Molecular Weight 447.635 g/mol
SMILES C1(CCCN1C(=O)C1=CC=C(C=C1)F)C(=O)OCCCCCCCCCCCCCCC