68504-35-8

SULFONAZO III(68504-35-8) ¹³C NMR

Molecular FormulaC22H12N4Na4O14S4

Molecular Weight776.57

InChIInChI=1S/C22H16N4O14S4.4Na/c27-21-18-11(9-16(43(35,36)37)19(21)25-23-12-5-1-3-7-14(12)41(29,30)31)10-17(44(38,39)40)20(22(18)28)26-24-13-6-2-4-8-15(13)42(32,33)34;;;;/h1-10,27-28H,(H,29,30,31)(H,32,33,34)(H,35,36,37)(H,38,39,40);;;;/q;4*+1/p-4/b25-23+,26-24+;;;;

InChIKey FCMRBZBGGXLKBC-KBJWUIGUSA-J

Smiles[Na+].[Na+].[Na+].[Na+].C1=C2C(C(=C(/N=N/C3=CC=CC=C3S([O-])(=O)=O)C(=C2)S([O-])(=O)=O)O)=C(O)C(/N=N/C2=CC=CC=C2S([O-])(=O)=O)=C1S([O-])(=O)=O

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¹HNMR

¹³CNMR

IR1

400 MHz in DMSO-d6

SULFONAZO III(68504-35-8) <sup>13</sup>C NMR

¹H NMR	399.65 MHz
C₂₂ H₁₂ N₄ Na₄ O₁₄ S₄	0.038 g : 0.5 ml DMSO-d₆
4,5-dihydroxy-3,6-bis(o-sulfophenylazo)-2,7-naphthalenedisulfonic acid tetrasodium salt

    Assign.     Shift(ppm)

      A            16.4
      B             8.141
      C             7.846
      D             7.533
      E             7.502
      F             7.373
     
     ASSIGNED BY C-H COSY.

     Hz     ppm     Int.

   6577.88  16.460     35
   6567.38  16.433    179
   3257.57   8.152    349
   3250.00   8.133    377
   3140.87   7.860    321
   3139.40   7.856    338
   3133.06   7.840    363
   3131.84   7.837    367
   3020.02   7.557    163
   3018.80   7.554    164
   3011.72   7.536    305
   3007.81   7.527     60
   3004.64   7.519    208
   3003.42   7.516    226
   2998.54   7.503   1000
   2954.35   7.393    212
   2953.37   7.390    210
   2946.78   7.374    327
   2946.04   7.372    329
   2942.14   7.362     39
   2939.45   7.356    165
   2938.48   7.353    168

in DMSO-d6