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

View entire compound with spectra: 1 NMR

D-Alanine, N-(3-fluoro-5-trifluoromethylbenzoyl)-, tetradecyl ester
SpectraBase Compound ID DO8FLtK3PGW
InChI InChI=1S/C25H37F4NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-33-24(32)19(2)30-23(31)20-16-21(25(27,28)29)18-22(26)17-20/h16-19H,3-15H2,1-2H3,(H,30,31)
InChIKey KRRZTMIJFGIZHZ-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 IvhRmKZ3sxN
Name D-Alanine, N-(3-fluoro-5-trifluoromethylbenzoyl)-, tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 475.270956704 u
Formula C25H37F4NO3
InChI InChI=1S/C25H37F4NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-33-24(32)19(2)30-23(31)20-16-21(25(27,28)29)18-22(26)17-20/h16-19H,3-15H2,1-2H3,(H,30,31)
InChIKey KRRZTMIJFGIZHZ-UHFFFAOYSA-N
Molecular Weight 475.569 g/mol
SMILES C(NC(=O)C1=CC(C(F)(F)F)=CC(=C1)F)(C(OCCCCCCCCCCCCCC)=O)C