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L-Leucine, N-(4-trifluoromethylbenzoyl)-, undecyl ester

View entire compound with spectra: 1 NMR

L-Leucine, N-(4-trifluoromethylbenzoyl)-, undecyl ester
SpectraBase Compound ID 7sICMpiypx2
InChI InChI=1S/C25H38F3NO3/c1-4-5-6-7-8-9-10-11-12-17-32-24(31)22(18-19(2)3)29-23(30)20-13-15-21(16-14-20)25(26,27)28/h13-16,19,22H,4-12,17-18H2,1-3H3,(H,29,30)
InChIKey OMTLDZZZFYJGFL-UHFFFAOYSA-N
Mol Weight 457.6 g/mol
Molecular Formula C25H38F3NO3
Exact Mass 457.280379 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3DCI2vM3MzP
Name L-Leucine, N-(4-trifluoromethylbenzoyl)-, undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 457.280378574 u
Formula C25H38F3NO3
InChI InChI=1S/C25H38F3NO3/c1-4-5-6-7-8-9-10-11-12-17-32-24(31)22(18-19(2)3)29-23(30)20-13-15-21(16-14-20)25(26,27)28/h13-16,19,22H,4-12,17-18H2,1-3H3,(H,29,30)
InChIKey OMTLDZZZFYJGFL-UHFFFAOYSA-N
Molecular Weight 457.578 g/mol
SMILES C1=CC(=CC=C1C(NC(C(OCCCCCCCCCCC)=O)CC(C)C)=O)C(F)(F)F