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L-Leucine, N-(2-trifluoromethylbenzoyl)-, nonyl ester

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L-Leucine, N-(2-trifluoromethylbenzoyl)-, nonyl ester
SpectraBase Compound ID 4KDxFNTmkZh
InChI InChI=1S/C23H34F3NO3/c1-4-5-6-7-8-9-12-15-30-22(29)20(16-17(2)3)27-21(28)18-13-10-11-14-19(18)23(24,25)26/h10-11,13-14,17,20H,4-9,12,15-16H2,1-3H3,(H,27,28)
InChIKey JZBJUQTZTYCIPC-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 44mTuVLhzbT
Name L-Leucine, N-(2-trifluoromethylbenzoyl)-, nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 429.249078445 u
Formula C23H34F3NO3
InChI InChI=1S/C23H34F3NO3/c1-4-5-6-7-8-9-12-15-30-22(29)20(16-17(2)3)27-21(28)18-13-10-11-14-19(18)23(24,25)26/h10-11,13-14,17,20H,4-9,12,15-16H2,1-3H3,(H,27,28)
InChIKey JZBJUQTZTYCIPC-UHFFFAOYSA-N
Molecular Weight 429.524 g/mol
SMILES C1=CC=CC(=C1C(NC(C(OCCCCCCCCC)=O)CC(C)C)=O)C(F)(F)F