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L-Proline, N-(2,4-difluorobenzoyl)-, octadecyl ester
SpectraBase Compound ID DjqCEjitLZQ
InChI InChI=1S/C30H47F2NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-36-30(35)28-19-18-22-33(28)29(34)26-21-20-25(31)24-27(26)32/h20-21,24,28H,2-19,22-23H2,1H3
InChIKey FLVUWQQERXOHPB-UHFFFAOYSA-N
Mol Weight 507.7 g/mol
Molecular Formula C30H47F2NO3
Exact Mass 507.352401 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6wAyjKwyRrp
Name L-Proline, N-(2,4-difluorobenzoyl)-, octadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 507.352400700 u
Formula C30H47F2NO3
InChI InChI=1S/C30H47F2NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-36-30(35)28-19-18-22-33(28)29(34)26-21-20-25(31)24-27(26)32/h20-21,24,28H,2-19,22-23H2,1H3
InChIKey FLVUWQQERXOHPB-UHFFFAOYSA-N
Molecular Weight 507.707 g/mol
SMILES C1=C(C(=CC=C1F)C(N1CCCC1C(=O)OCCCCCCCCCCCCCCCCCC)=O)F