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N-Trifluoromethanesulfonylglycylglycine methyl ester
SpectraBase Compound ID 66Ib3vsTHoj
InChI InChI=1S/C6H9F3N2O5S/c1-16-5(13)3-10-4(12)2-11-17(14,15)6(7,8)9/h11H,2-3H2,1H3,(H,10,12)
InChIKey BBAAHMYGCSEZSU-UHFFFAOYSA-N
Mol Weight 278.2 g/mol
Molecular Formula C6H9F3N2O5S
Exact Mass 278.018427 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4cP7sRoXCdj
Name N-Trifluoromethanesulfonylglycylglycine methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 278.018427056 u
Formula C6H9F3N2O5S
InChI InChI=1S/C6H9F3N2O5S/c1-16-5(13)3-10-4(12)2-11-17(14,15)6(7,8)9/h11H,2-3H2,1H3,(H,10,12)
InChIKey BBAAHMYGCSEZSU-UHFFFAOYSA-N
Molecular Weight 278.202 g/mol
SMILES C(CNC(CNS(=O)(=O)C(F)(F)F)=O)(=O)OC