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Back ChemicalBook Home>CAS DataBase List>5400-70-4More Spectrum> 2,4,6-TRINITROBENZENESULFONIC ACID SODIUM SALT(5400-70-4) 13C NMR

2,4,6-TRINITROBENZENESULFONIC ACID SODIUM SALT(5400-70-4) 13C NMR

Molecular FormulaC6H2N3NaO9S

Molecular Weight315.15

InChIInChI=1S/C6H3N3O9S.Na/c10-7(11)3-1-4(8(12)13)6(19(16,17)18)5(2-3)9(14)15;/h1-2H,(H,16,17,18);/q;+1/p-1

InChIKey NCGJACBPALRHNG-UHFFFAOYSA-M

SmilesC1(S([O-])(=O)=O)C([N+]([O-])=O)=CC([N+]([O-])=O)=CC=1[N+]([O-])=O.[Na+]


  •        ppm   Int.  Assign.
    150.09 230 1 149.31 230 2 135.85 150 3 123.00 1000 4
    Spectral Code: 13C NMR : in D2O

  • Spectral Code: IR : KBr disc

Tags:2,4,6-TRINITROBENZENESULFONIC ACID SODIUM SALT(5400-70-4) 13C NMR Related Products

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