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

View entire compound with spectra: 1 NMR

D-Alanine, N-(2-fluoro-5-trifluoromethylbenzoyl)-, tetradecyl ester
SpectraBase Compound ID Bvl1wEJKi0q
InChI InChI=1S/C25H37F4NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-33-24(32)19(2)30-23(31)21-18-20(25(27,28)29)15-16-22(21)26/h15-16,18-19H,3-14,17H2,1-2H3,(H,30,31)
InChIKey WTAGEOCMIROYDT-UHFFFAOYSA-N
Mol Weight 475.6 g/mol
Molecular Formula C25H37F4NO3
Exact Mass 475.270957 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 66s4wxIeVIq
Name D-Alanine, N-(2-fluoro-5-trifluoromethylbenzoyl)-, tetradecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 475.270956704 u
Formula C25H37F4NO3
InChI InChI=1S/C25H37F4NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-33-24(32)19(2)30-23(31)21-18-20(25(27,28)29)15-16-22(21)26/h15-16,18-19H,3-14,17H2,1-2H3,(H,30,31)
InChIKey WTAGEOCMIROYDT-UHFFFAOYSA-N
Molecular Weight 475.569 g/mol
SMILES CC(NC(=O)C1=CC(C(F)(F)F)=CC=C1F)C(OCCCCCCCCCCCCCC)=O