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

View entire compound with spectra: 1 NMR

D-Alanine, N-(3,4-difluorobenzoyl)-, octadecyl ester
SpectraBase Compound ID Df8yhg82kas
InChI InChI=1S/C28H45F2NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-34-28(33)23(2)31-27(32)24-19-20-25(29)26(30)22-24/h19-20,22-23H,3-18,21H2,1-2H3,(H,31,32)
InChIKey NBSYQFBNYZWFHE-UHFFFAOYSA-N
Mol Weight 481.7 g/mol
Molecular Formula C28H45F2NO3
Exact Mass 481.336751 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KBjAQ2wmkiB
Name D-Alanine, N-(3,4-difluorobenzoyl)-, octadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 481.336750636 u
Formula C28H45F2NO3
InChI InChI=1S/C28H45F2NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-34-28(33)23(2)31-27(32)24-19-20-25(29)26(30)22-24/h19-20,22-23H,3-18,21H2,1-2H3,(H,31,32)
InChIKey NBSYQFBNYZWFHE-UHFFFAOYSA-N
Molecular Weight 481.669 g/mol
SMILES CC(NC(=O)C1=CC(=C(C=C1)F)F)C(OCCCCCCCCCCCCCCCCCC)=O