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Molecular FormulaC7H6NNaO4

Molecular Weight191.11661

InChIInChI=1S/C7H7NO4.Na/c1-12-7-3-2-5(8(10)11)4-6(7)9;/h2-4,9H,1H3;/q;+1/p-1

InChIKey KBRKFTKQRMYINW-UHFFFAOYSA-M

Smiles[Na+].C1([O-])=CC([N+]([O-])=O)=CC=C1OC



  •     Assign.     Shift(ppm)
    A 7.399 B 7.318 C 6.792 D 3.853
    Spectral Code: 1H NMR : 400 MHz in D2O



  •        ppm   Int.  Assign.
    159.43 541 1 157.50 403 2 142.47 385 3 112.18 1000 4 112.18 0 5 110.34 568 6 56.44 495 7
    Spectral Code: 13C NMR : D2O


  • Spectral Code: IR : KBr disc

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