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L-Tyrosine, N,o-bis(trifluoroacetyl)-, ethyl ester
SpectraBase Compound ID Gj9vwC9bWVm
InChI InChI=1S/C15H13F6NO5/c1-2-26-11(23)10(22-12(24)14(16,17)18)7-8-3-5-9(6-4-8)27-13(25)15(19,20)21/h3-6,10H,2,7H2,1H3,(H,22,24)
InChIKey NFXMNSKASBMNHA-UHFFFAOYSA-N
Mol Weight 401.26 g/mol
Molecular Formula C15H13F6NO5
Exact Mass 401.069791 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8LqRD4u2NH5
Name L-Tyrosine, N,o-bis(trifluoroacetyl)-, ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 401.069791496 u
Formula C15H13F6NO5
InChI InChI=1S/C15H13F6NO5/c1-2-26-11(23)10(22-12(24)14(16,17)18)7-8-3-5-9(6-4-8)27-13(25)15(19,20)21/h3-6,10H,2,7H2,1H3,(H,22,24)
InChIKey NFXMNSKASBMNHA-UHFFFAOYSA-N
Molecular Weight 401.261 g/mol
SMILES C1(=CC=C(C=C1)OC(C(F)(F)F)=O)CC(C(=O)OCC)NC(C(F)(F)F)=O