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L-Tryptophan, N-trifluoroacetyl-N-methyl-, methyl ester

View entire compound with spectra: 1 NMR

L-Tryptophan, N-trifluoroacetyl-N-methyl-, methyl ester
SpectraBase Compound ID 7UQAjBbd3l5
InChI InChI=1S/C15H15F3N2O3/c1-20(14(22)15(16,17)18)12(13(21)23-2)7-9-8-19-11-6-4-3-5-10(9)11/h3-6,8,12,19H,7H2,1-2H3
InChIKey FATCIEGJPWXYCW-UHFFFAOYSA-N
Mol Weight 328.29 g/mol
Molecular Formula C15H15F3N2O3
Exact Mass 328.103477 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ASSbTeTkf2Y
Name L-Tryptophan, N-trifluoroacetyl-N-methyl-, methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 328.103476837 u
Formula C15H15F3N2O3
InChI InChI=1S/C15H15F3N2O3/c1-20(14(22)15(16,17)18)12(13(21)23-2)7-9-8-19-11-6-4-3-5-10(9)11/h3-6,8,12,19H,7H2,1-2H3
InChIKey FATCIEGJPWXYCW-UHFFFAOYSA-N
Molecular Weight 328.291 g/mol
SMILES C1=CC=CC2=C1C(CC(N(C(C(F)(F)F)=O)C)C(OC)=O)=CN2