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

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L-Proline, N-(2,6-difluorobenzoyl)-, heptadecyl ester
SpectraBase Compound ID Ckw6UnXbQv3
InChI InChI=1S/C29H45F2NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-35-29(34)26-21-18-22-32(26)28(33)27-24(30)19-17-20-25(27)31/h17,19-20,26H,2-16,18,21-23H2,1H3
InChIKey ATMCIEOITOJLQY-UHFFFAOYSA-N
Mol Weight 493.7 g/mol
Molecular Formula C29H45F2NO3
Exact Mass 493.336751 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FmOnoYrEim5
Name L-Proline, N-(2,6-difluorobenzoyl)-, heptadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 493.336750636 u
Formula C29H45F2NO3
InChI InChI=1S/C29H45F2NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-35-29(34)26-21-18-22-32(26)28(33)27-24(30)19-17-20-25(27)31/h17,19-20,26H,2-16,18,21-23H2,1H3
InChIKey ATMCIEOITOJLQY-UHFFFAOYSA-N
Molecular Weight 493.680 g/mol
SMILES C1(=C(C(=CC=C1)F)C(N1CCCC1C(=O)OCCCCCCCCCCCCCCCCC)=O)F