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L-Proline, N-(2,6-difluorobenzoyl)-, undecyl ester

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L-Proline, N-(2,6-difluorobenzoyl)-, undecyl ester
SpectraBase Compound ID 6Pbbj9lqtrB
InChI InChI=1S/C23H33F2NO3/c1-2-3-4-5-6-7-8-9-10-17-29-23(28)20-15-12-16-26(20)22(27)21-18(24)13-11-14-19(21)25/h11,13-14,20H,2-10,12,15-17H2,1H3
InChIKey MKQQARFJXMUTHS-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 98b1LfAolNJ
Name L-Proline, N-(2,6-difluorobenzoyl)-, undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 409.242850250 u
Formula C23H33F2NO3
InChI InChI=1S/C23H33F2NO3/c1-2-3-4-5-6-7-8-9-10-17-29-23(28)20-15-12-16-26(20)22(27)21-18(24)13-11-14-19(21)25/h11,13-14,20H,2-10,12,15-17H2,1H3
InChIKey MKQQARFJXMUTHS-UHFFFAOYSA-N
Molecular Weight 409.518 g/mol
SMILES C1(=C(C(=CC=C1)F)C(N1CCCC1C(=O)OCCCCCCCCCCC)=O)F