Molecular Formula: C9H12BrNO3S
Natural Isotopic Abundance Mass: 294.16548
Mono-Isotopic Molecular Masses:
InChI string: InChI=1S/C9H12BrNO3S/c1-7(12)6-11-15(13,14)9-4-2-8(10)3-5-9/h2-5,7,11-12H,6H2,1H3/t7-/m1/s1
EU-OPENSCREEN: EOS102716Reference data were obtained primarily from the PubChem database.
Three dimensional molecular rendering uses Jmol.
InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)