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 |
SpectraBase Spectrum ID | 4cP7sRoXCdj |
---|---|
Name | N-Trifluoromethanesulfonylglycylglycine methyl ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
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 |