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

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D-Alanine, N-(2,5-difluorobenzoyl)-, hexadecyl ester
SpectraBase Compound ID IduvvR2awWI
InChI InChI=1S/C26H41F2NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-32-26(31)21(2)29-25(30)23-20-22(27)17-18-24(23)28/h17-18,20-21H,3-16,19H2,1-2H3,(H,29,30)
InChIKey GYEJUVFFKLHFQU-UHFFFAOYSA-N
Mol Weight 453.6 g/mol
Molecular Formula C26H41F2NO3
Exact Mass 453.305451 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 97WO52g91TD
Name D-Alanine, N-(2,5-difluorobenzoyl)-, hexadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 453.305450507 u
Formula C26H41F2NO3
InChI InChI=1S/C26H41F2NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-32-26(31)21(2)29-25(30)23-20-22(27)17-18-24(23)28/h17-18,20-21H,3-16,19H2,1-2H3,(H,29,30)
InChIKey GYEJUVFFKLHFQU-UHFFFAOYSA-N
Molecular Weight 453.615 g/mol
SMILES CC(NC(=O)C1=C(C=CC(=C1)F)F)C(OCCCCCCCCCCCCCCCC)=O