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D-Alanine, N-(2-fluoro-5-trifluoromethylbenzoyl)-, heptyl ester

View entire compound with spectra: 1 NMR

D-Alanine, N-(2-fluoro-5-trifluoromethylbenzoyl)-, heptyl ester
SpectraBase Compound ID FMnbEl59aQO
InChI InChI=1S/C18H23F4NO3/c1-3-4-5-6-7-10-26-17(25)12(2)23-16(24)14-11-13(18(20,21)22)8-9-15(14)19/h8-9,11-12H,3-7,10H2,1-2H3,(H,23,24)
InChIKey URPYCFURRXEENA-UHFFFAOYSA-N
Mol Weight 377.38 g/mol
Molecular Formula C18H23F4NO3
Exact Mass 377.161406 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FLz7FYxnvC
Name D-Alanine, N-(2-fluoro-5-trifluoromethylbenzoyl)-, heptyl ester
Comments Computed using HOSE algorithm
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Exact Mass 377.161406254 u
Formula C18H23F4NO3
InChI InChI=1S/C18H23F4NO3/c1-3-4-5-6-7-10-26-17(25)12(2)23-16(24)14-11-13(18(20,21)22)8-9-15(14)19/h8-9,11-12H,3-7,10H2,1-2H3,(H,23,24)
InChIKey URPYCFURRXEENA-UHFFFAOYSA-N
Molecular Weight 377.380 g/mol
SMILES CC(NC(=O)C1=CC(C(F)(F)F)=CC=C1F)C(OCCCCCCC)=O