Sodium 5-[(4-nitrophenyl)azo]salicylate(1718-34-9) ¹³C NMR

Product NameSodium 5-[(4-nitrophenyl)azo]salicylate

CAS 1718-34-9

Molecular FormulaC13H8N3NaO5

Molecular Weight309.21

InChIInChI=1S/C13H9N3O5.Na/c17-12-6-3-9(7-11(12)13(18)19)15-14-8-1-4-10(5-2-8)16(20)21;/h1-7,17H,(H,18,19);/q;+1/p-1/b15-14+;

InChIKey HXKKTXMJSVFQSL-WPDLWGESSA-M

SmilesC1(C=CC(O)=C(C([O-])=O)C=1)/N=N/C1C=CC([N+]([O-])=O)=CC=1.[Na+]

Request For Quotation

400 MHz in CDCl3

400 MHz in D2O

Sodium 5-[(4-nitrophenyl)azo]salicylate(1718-34-9) <sup>13</sup>C NMR

¹H NMR	399.65 MHz
C₁₃ H₈ N₃ Na O₅	0.025 g : 0.5 ml DMSO-d₆
Alizarin Yellow R

    Assign.     Shift(ppm)

      A            18.1
      B             8.37
      C             8.36
      D             7.960
      E             7.865
      F             6.765

     Hz     ppm     Int.

   7226.80  18.083    140
   3347.17   8.376    961
   3344.97   8.370    962
   3342.29   8.364    800
   3340.33   8.359    465
   3338.38   8.354   1000
   3335.69   8.347    172
   3185.79   7.972    973
   3178.71   7.954    370
   3176.76   7.949    847
   3174.32   7.943    145
   3149.17   7.880    342
   3146.48   7.874    328
   3140.38   7.858    357
   3137.70   7.852    341
   2708.25   6.777    565
   2699.46   6.755    555

Sodium 5-[(4-nitrophenyl)azo]salicylate(1718-34-9) <sup>13</sup>C NMR

¹H NMR	399.65 MHz
C₁₃ H₈ N₃ Na O₅	0.041 g : 0.5 ml D₂O
Alizarin Yellow R

    Assign.     Shift(ppm)

      A             8.070
      B             7.896
      C             7.617
      D             7.585
      E             6.797
     
     SOLVENT PEAK REMOVED

     Hz     ppm     Int.

   3226.44   8.074    665
   3223.88   8.067    676
   3160.40   7.908    859
   3156.37   7.898     75
   3151.73   7.887   1000
   3146.36   7.873     30
   3048.46   7.628    934
   3044.07   7.617     85
   3039.67   7.606    833
   3036.87   7.599    389
   3034.30   7.593    319
   3031.37   7.586     50
   3028.08   7.577    337
   3025.51   7.571    328
   2720.70   6.808    575
   2715.70   6.796     30
   2715.33   6.795     30
   2711.91   6.786    558

in D2O

in DMSO-d6