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L-Proline, N-(3-fluorobenzoyl)-, undecyl ester
SpectraBase Compound ID 8DsdZ37cPw0
InChI InChI=1S/C23H34FNO3/c1-2-3-4-5-6-7-8-9-10-17-28-23(27)21-15-12-16-25(21)22(26)19-13-11-14-20(24)18-19/h11,13-14,18,21H,2-10,12,15-17H2,1H3
InChIKey DKQIHVUKALRVGT-UHFFFAOYSA-N
Mol Weight 391.5 g/mol
Molecular Formula C23H34FNO3
Exact Mass 391.252272 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HJnalfYiKdU
Name L-Proline, N-(3-fluorobenzoyl)-, undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 391.252272119 u
Formula C23H34FNO3
InChI InChI=1S/C23H34FNO3/c1-2-3-4-5-6-7-8-9-10-17-28-23(27)21-15-12-16-25(21)22(26)19-13-11-14-20(24)18-19/h11,13-14,18,21H,2-10,12,15-17H2,1H3
InChIKey DKQIHVUKALRVGT-UHFFFAOYSA-N
Molecular Weight 391.527 g/mol
SMILES C1(=CC(=CC=C1)F)C(N1CCCC1C(=O)OCCCCCCCCCCC)=O