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L-Proline, N-(2-fluorobenzoyl)-, pentadecyl ester

View entire compound with spectra: 1 NMR

L-Proline, N-(2-fluorobenzoyl)-, pentadecyl ester
SpectraBase Compound ID CjP7BAvUyNk
InChI InChI=1S/C27H42FNO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22-32-27(31)25-20-17-21-29(25)26(30)23-18-14-15-19-24(23)28/h14-15,18-19,25H,2-13,16-17,20-22H2,1H3
InChIKey DHXUXUOUDPSMAN-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 3wkFBdPdqeC
Name L-Proline, N-(2-fluorobenzoyl)-, pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 447.314872376 u
Formula C27H42FNO3
InChI InChI=1S/C27H42FNO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22-32-27(31)25-20-17-21-29(25)26(30)23-18-14-15-19-24(23)28/h14-15,18-19,25H,2-13,16-17,20-22H2,1H3
InChIKey DHXUXUOUDPSMAN-UHFFFAOYSA-N
Molecular Weight 447.635 g/mol
SMILES C1(=C(C=CC=C1)F)C(N1CCCC1C(=O)OCCCCCCCCCCCCCCC)=O