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D-Alanine, N-(3,4-difluorobenzoyl)-, tetradecyl ester

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D-Alanine, N-(3,4-difluorobenzoyl)-, tetradecyl ester
SpectraBase Compound ID 9z0oMYFmp8i
InChI InChI=1S/C24H37F2NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-30-24(29)19(2)27-23(28)20-15-16-21(25)22(26)18-20/h15-16,18-19H,3-14,17H2,1-2H3,(H,27,28)
InChIKey KJERWXHNMGBNCV-UHFFFAOYSA-N
Mol Weight 425.6 g/mol
Molecular Formula C24H37F2NO3
Exact Mass 425.27415 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9nTsrJxm04d
Name D-Alanine, N-(3,4-difluorobenzoyl)-, tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 425.274150378 u
Formula C24H37F2NO3
InChI InChI=1S/C24H37F2NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-30-24(29)19(2)27-23(28)20-15-16-21(25)22(26)18-20/h15-16,18-19H,3-14,17H2,1-2H3,(H,27,28)
InChIKey KJERWXHNMGBNCV-UHFFFAOYSA-N
Molecular Weight 425.561 g/mol
SMILES CC(NC(=O)C1=CC(=C(C=C1)F)F)C(OCCCCCCCCCCCCCC)=O