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L-Proline, N-(3,4-difluorobenzoyl)-, undecyl ester

View entire compound with spectra: 1 NMR

L-Proline, N-(3,4-difluorobenzoyl)-, undecyl ester
SpectraBase Compound ID D6DDMmtBUGM
InChI InChI=1S/C23H33F2NO3/c1-2-3-4-5-6-7-8-9-10-16-29-23(28)21-12-11-15-26(21)22(27)18-13-14-19(24)20(25)17-18/h13-14,17,21H,2-12,15-16H2,1H3
InChIKey MFGHKNTXYOROPW-UHFFFAOYSA-N
Mol Weight 409.5 g/mol
Molecular Formula C23H33F2NO3
Exact Mass 409.24285 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L5dRSwPuYSN
Name L-Proline, N-(3,4-difluorobenzoyl)-, undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 409.242850250 u
Formula C23H33F2NO3
InChI InChI=1S/C23H33F2NO3/c1-2-3-4-5-6-7-8-9-10-16-29-23(28)21-12-11-15-26(21)22(27)18-13-14-19(24)20(25)17-18/h13-14,17,21H,2-12,15-16H2,1H3
InChIKey MFGHKNTXYOROPW-UHFFFAOYSA-N
Molecular Weight 409.518 g/mol
SMILES C1(=CC(=CC=C1F)C(N1CCCC1C(=O)OCCCCCCCCCCC)=O)F