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L-Proline, N-(3-fluorobenzoyl)-, dodecyl ester
SpectraBase Compound ID F5K1MApuatH
InChI InChI=1S/C24H36FNO3/c1-2-3-4-5-6-7-8-9-10-11-18-29-24(28)22-16-13-17-26(22)23(27)20-14-12-15-21(25)19-20/h12,14-15,19,22H,2-11,13,16-18H2,1H3
InChIKey RJSWLHVBMCQJEK-UHFFFAOYSA-N
Mol Weight 405.6 g/mol
Molecular Formula C24H36FNO3
Exact Mass 405.267922 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8dqUDl1oGLA
Name L-Proline, N-(3-fluorobenzoyl)-, dodecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 405.267922183 u
Formula C24H36FNO3
InChI InChI=1S/C24H36FNO3/c1-2-3-4-5-6-7-8-9-10-11-18-29-24(28)22-16-13-17-26(22)23(27)20-14-12-15-21(25)19-20/h12,14-15,19,22H,2-11,13,16-18H2,1H3
InChIKey RJSWLHVBMCQJEK-UHFFFAOYSA-N
Molecular Weight 405.554 g/mol
SMILES C1(=CC(=CC=C1)F)C(N1CCCC1C(=O)OCCCCCCCCCCCC)=O