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Glycine, N-(2,6-difluorobenzoyl)-, hexadecyl ester

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Glycine, N-(2,6-difluorobenzoyl)-, hexadecyl ester
SpectraBase Compound ID KPb5Ypme5fg
InChI InChI=1S/C25H39F2NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-31-23(29)20-28-25(30)24-21(26)17-16-18-22(24)27/h16-18H,2-15,19-20H2,1H3,(H,28,30)
InChIKey GPAOHVCOBCOENA-UHFFFAOYSA-N
Mol Weight 439.6 g/mol
Molecular Formula C25H39F2NO3
Exact Mass 439.2898 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8jc7oeeFJQW
Name Glycine, N-(2,6-difluorobenzoyl)-, hexadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 439.289800443 u
Formula C25H39F2NO3
InChI InChI=1S/C25H39F2NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-31-23(29)20-28-25(30)24-21(26)17-16-18-22(24)27/h16-18H,2-15,19-20H2,1H3,(H,28,30)
InChIKey GPAOHVCOBCOENA-UHFFFAOYSA-N
Molecular Weight 439.588 g/mol
SMILES C1=CC=C(C(=C1F)C(NCC(OCCCCCCCCCCCCCCCC)=O)=O)F