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L-Leucine, N-(2-trifluoromethylbenzoyl)-, hexyl ester
SpectraBase Compound ID DTNR038NHDw
InChI InChI=1S/C20H28F3NO3/c1-4-5-6-9-12-27-19(26)17(13-14(2)3)24-18(25)15-10-7-8-11-16(15)20(21,22)23/h7-8,10-11,14,17H,4-6,9,12-13H2,1-3H3,(H,24,25)
InChIKey YKIPPXKTQQTENG-UHFFFAOYSA-N
Mol Weight 387.44 g/mol
Molecular Formula C20H28F3NO3
Exact Mass 387.202128 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8A7Mr6ecesU
Name L-Leucine, N-(2-trifluoromethylbenzoyl)-, hexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 387.202128252 u
Formula C20H28F3NO3
InChI InChI=1S/C20H28F3NO3/c1-4-5-6-9-12-27-19(26)17(13-14(2)3)24-18(25)15-10-7-8-11-16(15)20(21,22)23/h7-8,10-11,14,17H,4-6,9,12-13H2,1-3H3,(H,24,25)
InChIKey YKIPPXKTQQTENG-UHFFFAOYSA-N
Molecular Weight 387.443 g/mol
SMILES C1=CC=CC(=C1C(NC(C(OCCCCCC)=O)CC(C)C)=O)C(F)(F)F