4478-76-6

酸性红80(4478-76-6)核磁图(¹HNMR)

分子式:C24H19N2NaO5S

分子量: 470.47

InChI:InChI=1S/C24H18N2O5S.Na.H/c1-13-7-8-17(20(11-13)32(29,30)31)25-18-9-10-19-22-16(12-21(27)26(19)2)14-5-3-4-6-15(14)24(28)23(18)22;;/h3-12,25H,1-2H3,(H,29,30,31);;

InChIKey: NXHMUNASGLBLOX-UHFFFAOYSA-N

Smiles:N(C1C=CC(C)=CC=1S(O)(=O)=O)C1C=CC2N(C)C(=O)C=C3C4C=CC=CC=4C(=O)C=1C3=2.[NaH]

¹HNMR

IR1

IR2

400 MHz in DMSO-d6 at 50.C

¹H NMR	399.65 MHz
C₂₄ H₁₇ N₂ Na O₅ S	0.023 g : 0.5 ml DMSO-d₆ at 50 C
Alizarin Rubinol R

    Assign.     Shift(ppm)

      A            11.8
      B             8.459
      C             8.373
      D             7.827
      E             7.80
      F             7.74
      G             7.705
      J             7.653
      K             7.557
      L             7.338
      M             7.180
      N             3.712
      P             2.342

     Hz     ppm     Int.

   4742.18  11.866    216
   3384.92   8.470    121
   3377.22   8.451    126
   3350.85   8.385    113
   3349.75   8.382    113
   3343.34   8.366    126
   3341.87   8.362    120
   3133.61   7.841    159
   3127.93   7.827     32
   3123.90   7.817    228
   3116.94   7.800    115
   3115.66   7.796    113
   3109.25   7.780     94
   3107.79   7.777     87
   3105.04   7.770     31
   3101.38   7.761    102
   3100.64   7.759    104
   3098.08   7.752     32
   3097.53   7.751     32
   3093.50   7.741    132
   3086.36   7.723     66
   3085.81   7.722     66
   3080.68   7.709    193
   3078.85   7.704    191
   3058.51   7.653    336
   3024.99   7.570    188
   3015.29   7.545    165
   2937.26   7.350    147
   2929.20   7.330    185
   2873.33   7.190    104
   2871.87   7.186    100
   2871.50   7.186    101
   2865.09   7.169     82
   2863.44   7.165     78
   1483.83   3.713   1000
    936.53   2.344    786

KBr disc