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D-Alanine, N-(3-fluoro-5-trifluoromethylbenzoyl)-, pentadecyl ester

View entire compound with spectra: 1 NMR

D-Alanine, N-(3-fluoro-5-trifluoromethylbenzoyl)-, pentadecyl ester
SpectraBase Compound ID 55377e6CuBX
InChI InChI=1S/C26H39F4NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-34-25(33)20(2)31-24(32)21-17-22(26(28,29)30)19-23(27)18-21/h17-20H,3-16H2,1-2H3,(H,31,32)
InChIKey QUHBVYKUQZMPOX-UHFFFAOYSA-N
Mol Weight 489.6 g/mol
Molecular Formula C26H39F4NO3
Exact Mass 489.286607 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IZvjXOIRrN4
Name D-Alanine, N-(3-fluoro-5-trifluoromethylbenzoyl)-, pentadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 489.286606769 u
Formula C26H39F4NO3
InChI InChI=1S/C26H39F4NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-34-25(33)20(2)31-24(32)21-17-22(26(28,29)30)19-23(27)18-21/h17-20H,3-16H2,1-2H3,(H,31,32)
InChIKey QUHBVYKUQZMPOX-UHFFFAOYSA-N
Molecular Weight 489.596 g/mol
SMILES C(NC(=O)C1=CC(C(F)(F)F)=CC(=C1)F)(C(OCCCCCCCCCCCCCCC)=O)C