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l-Threonine, N,N-bis(trifluoroacetyl)-, butyl ester

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l-Threonine, N,N-bis(trifluoroacetyl)-, butyl ester
SpectraBase Compound ID KUlCLe3oKr9
InChI InChI=1S/C12H15F6NO5/c1-3-4-5-24-8(21)7(6(2)20)19(9(22)11(13,14)15)10(23)12(16,17)18/h6-7,20H,3-5H2,1-2H3
InChIKey ICTHWIBABKGBDA-UHFFFAOYSA-N
Mol Weight 367.24 g/mol
Molecular Formula C12H15F6NO5
Exact Mass 367.085442 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7BZeteatYuK
Name L-Threonine, N,N-bis(trifluoroacetyl)-, butyl ester
Comments Computed using HOSE algorithm
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Exact Mass 367.085441560 u
Formula C12H15F6NO5
InChI InChI=1S/C12H15F6NO5/c1-3-4-5-24-8(21)7(6(2)20)19(9(22)11(13,14)15)10(23)12(16,17)18/h6-7,20H,3-5H2,1-2H3
InChIKey ICTHWIBABKGBDA-UHFFFAOYSA-N
Molecular Weight 367.244 g/mol
SMILES [C@](N(C(C(F)(F)F)=O)C(C(F)(F)F)=O)(C(OCCCC)=O)([C@@](C)(O)[H])[H]