Liothyronine sodium(55-06-1) ¹³C NMR

Molecular FormulaC15H11I3NNaO4

Molecular Weight672.96

InChIInChI=1/C15H12I3NO4.Na/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22;/h1-4,6,12,20H,5,19H2,(H,21,22);/q;+1/p-1/t12-;/s3

InChIKey SBXXSUDPJJJJLC-ZLBVLXFENA-M

SmilesC1(C(I)=CC(C[C@H](N)C([O-])=O)=CC=1I)OC1=CC=C(O)C(I)=C1.[Na+] |&1:6,r|

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¹HNMR

¹³CNMR

IR1

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₅ H₁₁ I₃ N Na O₄	0.029 g : 0.5 ml DMSO-d₆
sodium O(4)-(4-hydroxy-3-iodophenyl)-3,5-diiodo-L-tyrosinate

    Assign.     Shift(ppm)

      A             7.794
      B             6.969
      C             6.841
      D             6.536
      E             3.218
      F     *1      2.98
      G     *1      2.558

     Hz     ppm     Int.

   3114.99   7.795   1000
   3110.35   7.783     46
   3109.01   7.780     41
   3107.67   7.776     33
   2786.74   6.973    351
   2783.69   6.966    355
   2742.55   6.863     36
   2739.01   6.854    189
   2733.64   6.841     46
   2730.10   6.832    230
   2617.80   6.551    141
   2614.87   6.543    132
   2609.01   6.529    128
   2605.96   6.521    126
   1290.28   3.229     86
   1281.86   3.208     78
   1198.36   2.999     62
   1187.74   2.972     72
   1034.91   2.590     53
   1034.55   2.589     54
   1025.51   2.567     62
   1025.15   2.566     61
   1023.68   2.562     55
   1022.71   2.560     56
   1021.61   2.557     60
   1021.00   2.555     59
   1012.82   2.535     52
   1012.21   2.533     52
   1010.62   2.529     44

in DMSO-d6