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.beta.-Alanine, N-(4-trifluoromethylbenzoyl)-, dodecyl ester

View entire compound with spectra: 1 NMR

.beta.-Alanine, N-(4-trifluoromethylbenzoyl)-, dodecyl ester
SpectraBase Compound ID 8axe2DRwOSV
InChI InChI=1S/C23H34F3NO3/c1-2-3-4-5-6-7-8-9-10-11-18-30-21(28)16-17-27-22(29)19-12-14-20(15-13-19)23(24,25)26/h12-15H,2-11,16-18H2,1H3,(H,27,29)
InChIKey FUYMHALPBGXRCY-UHFFFAOYSA-N
Mol Weight 429.5 g/mol
Molecular Formula C23H34F3NO3
Exact Mass 429.249078 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I2wyKxMj2vA
Name .beta.-Alanine, N-(4-trifluoromethylbenzoyl)-, dodecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 429.249078445 u
Formula C23H34F3NO3
InChI InChI=1S/C23H34F3NO3/c1-2-3-4-5-6-7-8-9-10-11-18-30-21(28)16-17-27-22(29)19-12-14-20(15-13-19)23(24,25)26/h12-15H,2-11,16-18H2,1H3,(H,27,29)
InChIKey FUYMHALPBGXRCY-UHFFFAOYSA-N
Molecular Weight 429.524 g/mol
SMILES C1=CC(=CC=C1C(NCCC(OCCCCCCCCCCCC)=O)=O)C(F)(F)F