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L-Alanine, N-(2-trifluoromethylbenzoyl)-, decyl ester

View entire compound with spectra: 1 NMR

L-Alanine, N-(2-trifluoromethylbenzoyl)-, decyl ester
SpectraBase Compound ID Ap0xdxIhZJ
InChI InChI=1S/C21H30F3NO3/c1-3-4-5-6-7-8-9-12-15-28-20(27)16(2)25-19(26)17-13-10-11-14-18(17)21(22,23)24/h10-11,13-14,16H,3-9,12,15H2,1-2H3,(H,25,26)
InChIKey YVFHPWLFAPLQLZ-UHFFFAOYSA-N
Mol Weight 401.47 g/mol
Molecular Formula C21H30F3NO3
Exact Mass 401.217778 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3tqfzBSGP7N
Name L-Alanine, N-(2-trifluoromethylbenzoyl)-, decyl ester
Comments Computed using HOSE algorithm
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Exact Mass 401.217778316 u
Formula C21H30F3NO3
InChI InChI=1S/C21H30F3NO3/c1-3-4-5-6-7-8-9-12-15-28-20(27)16(2)25-19(26)17-13-10-11-14-18(17)21(22,23)24/h10-11,13-14,16H,3-9,12,15H2,1-2H3,(H,25,26)
InChIKey YVFHPWLFAPLQLZ-UHFFFAOYSA-N
Molecular Weight 401.470 g/mol
SMILES C1(=CC=CC=C1C(NC(C)C(OCCCCCCCCCC)=O)=O)C(F)(F)F