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

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D-Alanine, N-(3,4-difluorobenzoyl)-, tridecyl ester
SpectraBase Compound ID 5UrTw5Pr02y
InChI InChI=1S/C23H35F2NO3/c1-3-4-5-6-7-8-9-10-11-12-13-16-29-23(28)18(2)26-22(27)19-14-15-20(24)21(25)17-19/h14-15,17-18H,3-13,16H2,1-2H3,(H,26,27)
InChIKey FWZNGIUBXXESCX-UHFFFAOYSA-N
Mol Weight 411.5 g/mol
Molecular Formula C23H35F2NO3
Exact Mass 411.2585 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E5NdobYulyh
Name D-Alanine, N-(3,4-difluorobenzoyl)-, tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 411.258500314 u
Formula C23H35F2NO3
InChI InChI=1S/C23H35F2NO3/c1-3-4-5-6-7-8-9-10-11-12-13-16-29-23(28)18(2)26-22(27)19-14-15-20(24)21(25)17-19/h14-15,17-18H,3-13,16H2,1-2H3,(H,26,27)
InChIKey FWZNGIUBXXESCX-UHFFFAOYSA-N
Molecular Weight 411.534 g/mol
SMILES CC(NC(=O)C1=CC(=C(C=C1)F)F)C(OCCCCCCCCCCCCC)=O