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L-Tryptophan, N(1)-methyl-, N-trifluoroacetyl-N-methyl-, methyl ester

View entire compound with spectra: 1 NMR

L-Tryptophan, N(1)-methyl-, N-trifluoroacetyl-N-methyl-, methyl ester
SpectraBase Compound ID 4QQdQsXfHFo
InChI InChI=1S/C16H17F3N2O3/c1-20-9-10(11-6-4-5-7-12(11)20)8-13(14(22)24-3)21(2)15(23)16(17,18)19/h4-7,9,13H,8H2,1-3H3
InChIKey GAPSHSHILIJTPE-UHFFFAOYSA-N
Mol Weight 342.32 g/mol
Molecular Formula C16H17F3N2O3
Exact Mass 342.119127 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5pc4XymtOzP
Name L-Tryptophan, N(1)-methyl-, N-trifluoroacetyl-N-methyl-, methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 342.119126901 u
Formula C16H17F3N2O3
InChI InChI=1S/C16H17F3N2O3/c1-20-9-10(11-6-4-5-7-12(11)20)8-13(14(22)24-3)21(2)15(23)16(17,18)19/h4-7,9,13H,8H2,1-3H3
InChIKey GAPSHSHILIJTPE-UHFFFAOYSA-N
Molecular Weight 342.318 g/mol
SMILES C1=CC=CC2=C1C(CC(N(C(C(F)(F)F)=O)C)C(OC)=O)=CN2C