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L-Proline, N-(2,4-difluorobenzoyl)-, nonyl ester

View entire compound with spectra: 1 NMR

L-Proline, N-(2,4-difluorobenzoyl)-, nonyl ester
SpectraBase Compound ID FT0aVEI46ke
InChI InChI=1S/C21H29F2NO3/c1-2-3-4-5-6-7-8-14-27-21(26)19-10-9-13-24(19)20(25)17-12-11-16(22)15-18(17)23/h11-12,15,19H,2-10,13-14H2,1H3
InChIKey OGBQRCZBIXXFAS-UHFFFAOYSA-N
Mol Weight 381.46 g/mol
Molecular Formula C21H29F2NO3
Exact Mass 381.21155 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID UJApfTNr6H
Name L-Proline, N-(2,4-difluorobenzoyl)-, nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 381.211550121 u
Formula C21H29F2NO3
InChI InChI=1S/C21H29F2NO3/c1-2-3-4-5-6-7-8-14-27-21(26)19-10-9-13-24(19)20(25)17-12-11-16(22)15-18(17)23/h11-12,15,19H,2-10,13-14H2,1H3
InChIKey OGBQRCZBIXXFAS-UHFFFAOYSA-N
Molecular Weight 381.464 g/mol
SMILES C1=C(C(=CC=C1F)C(N1CCCC1C(=O)OCCCCCCCCC)=O)F