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L-Proline, N-(3-fluorobenzoyl)-, pentadecyl ester

View entire compound with spectra: 1 NMR

L-Proline, N-(3-fluorobenzoyl)-, pentadecyl ester
SpectraBase Compound ID EuO9THWDNg6
InChI InChI=1S/C27H42FNO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-32-27(31)25-19-16-20-29(25)26(30)23-17-15-18-24(28)22-23/h15,17-18,22,25H,2-14,16,19-21H2,1H3
InChIKey OSSIEZLMQMYXQW-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 HlYcPIAdCZk
Name L-Proline, N-(3-fluorobenzoyl)-, pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 447.314872376 u
Formula C27H42FNO3
InChI InChI=1S/C27H42FNO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-32-27(31)25-19-16-20-29(25)26(30)23-17-15-18-24(28)22-23/h15,17-18,22,25H,2-14,16,19-21H2,1H3
InChIKey OSSIEZLMQMYXQW-UHFFFAOYSA-N
Molecular Weight 447.635 g/mol
SMILES C1(=CC(=CC=C1)F)C(N1CCCC1C(=O)OCCCCCCCCCCCCCCC)=O