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L-Glutamine, N-benzyl-N-trifluoroacetyl-, methyl ester

View entire compound with spectra: 1 NMR

L-Glutamine, N-benzyl-N-trifluoroacetyl-, methyl ester
SpectraBase Compound ID 9hZwiYExopg
InChI InChI=1S/C15H17F3N2O4/c1-24-13(22)11(7-8-12(19)21)20(14(23)15(16,17)18)9-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H2,19,21)
InChIKey VHVYJELGIOLPRW-UHFFFAOYSA-N
Mol Weight 346.31 g/mol
Molecular Formula C15H17F3N2O4
Exact Mass 346.114042 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 38waFm5PvjJ
Name L-Glutamine, N-benzyl-N-trifluoroacetyl-, methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 346.114041520 u
Formula C15H17F3N2O4
InChI InChI=1S/C15H17F3N2O4/c1-24-13(22)11(7-8-12(19)21)20(14(23)15(16,17)18)9-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H2,19,21)
InChIKey VHVYJELGIOLPRW-UHFFFAOYSA-N
Molecular Weight 346.306 g/mol
SMILES C1(=CC=CC=C1)CN(C(CCC(N)=O)C(=O)OC)C(C(F)(F)F)=O