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D-Alanine, N-(2,5-difluorobenzoyl)-, undecyl ester

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D-Alanine, N-(2,5-difluorobenzoyl)-, undecyl ester
SpectraBase Compound ID 6vlxiePVKRf
InChI InChI=1S/C21H31F2NO3/c1-3-4-5-6-7-8-9-10-11-14-27-21(26)16(2)24-20(25)18-15-17(22)12-13-19(18)23/h12-13,15-16H,3-11,14H2,1-2H3,(H,24,25)
InChIKey OALHLZSGTLYMGK-UHFFFAOYSA-N
Mol Weight 383.48 g/mol
Molecular Formula C21H31F2NO3
Exact Mass 383.2272 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6NPmaYxjcBb
Name D-Alanine, N-(2,5-difluorobenzoyl)-, undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 383.227200185 u
Formula C21H31F2NO3
InChI InChI=1S/C21H31F2NO3/c1-3-4-5-6-7-8-9-10-11-14-27-21(26)16(2)24-20(25)18-15-17(22)12-13-19(18)23/h12-13,15-16H,3-11,14H2,1-2H3,(H,24,25)
InChIKey OALHLZSGTLYMGK-UHFFFAOYSA-N
Molecular Weight 383.480 g/mol
SMILES CC(NC(=O)C1=C(C=CC(=C1)F)F)C(OCCCCCCCCCCC)=O