548-80-1

铬变素2B(548-80-1)红外图谱(IR2)

分子式:C16H12N3NaO10S2

分子量: 493.39

InChI:InChI=1S/C16H11N3O10S2.2Na/c20-12-7-11(30(24,25)26)5-8-6-13(31(27,28)29)15(16(21)14(8)12)18-17-9-1-3-10(4-2-9)19(22)23;;/h1-7,20-21H,(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2/b18-17+;;

InChIKey: AXUUHWJXDWBCSG-QIKYXUGXSA-L

Smiles:C12C=C(C=C(O)C1=C(O)C(/N=N/C1C=CC([N+]([O-])=O)=CC=1)=C(S([O-])(=O)=O)C=2)S([O-])(=O)=O.[Na+].[Na+]

¹HNMR

IR1

IR2

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₆ H₉ N₃ Na₂ O₁₀ S₂	saturated in DMSO-d₆
Chromotrope 2B

    Assign.     Shift(ppm)

      A             8.265
      B             8.007
      C             7.502
      D             7.327
      E             7.059

     Hz     ppm     Int.

   3339.84   8.357     59
   3339.39   8.356     61
   3338.78   8.355     57
   3337.86   8.352     63
   3337.10   8.351     62
   3336.64   8.349     62
   3335.88   8.348     62
   3335.42   8.346     66
   3334.20   8.343     66
   3333.28   8.341     71
   3332.82   8.340     71
   3332.37   8.339     68
   3331.45   8.336     78
   3330.38   8.334     74
   3329.77   8.332     76
   3329.32   8.331     79
   3328.70   8.330     81
   3328.25   8.328     81
   3327.64   8.327     78
   3326.72   8.325     85
   3325.81   8.322     86
   3325.20   8.321     89
   3324.43   8.319     94
   3323.67   8.317     96
   3323.06   8.315    105
   3322.60   8.314    107
   3321.08   8.310    112
   3320.16   8.308    118
   3318.94   8.305    131
   3315.89   8.297    181
   3307.95   8.278    800
   3299.26   8.256    858
   3290.56   8.234    114
   3289.18   8.231     91
   3288.73   8.230     87
   3287.96   8.228     84
   3286.74   8.225     78
   3286.13   8.223     79
   3285.06   8.220     70
   3284.30   8.218     68
   3283.84   8.217     71
   3282.47   8.214     59
   3280.79   8.210     57
   3227.54   8.076     66
   3227.08   8.075     67
   3226.47   8.074     69
   3226.01   8.073     74
   3225.40   8.071     75
   3224.95   8.070     81
   3224.18   8.068     86
   3223.57   8.066     88
   3222.96   8.065     98
   3221.74   8.062     97
   3220.37   8.058    101
   3219.60   8.057     92
   3219.15   8.055    105
   3217.77   8.052    113
   3217.01   8.050    117
   3215.18   8.045    134
   3214.26   8.043    141
   3213.35   8.041    145
   3212.43   8.039    156
   3211.52   8.036    175
   3204.35   8.018    710
   3195.65   7.997    626
   3188.32   7.978    119
   3186.65   7.974    109
   3184.97   7.970     86
   3184.05   7.968     81
   3183.59   7.966     76
   3182.83   7.965     66
   3182.07   7.963     64
   3010.25   7.533     56
   3009.64   7.531     65
   3009.03   7.530     56
   3008.12   7.527     72
   3006.74   7.524     84
   3004.91   7.519    109
   2998.50   7.503   1000
   2990.42   7.483     71
   2989.04   7.480     61
   2988.59   7.479     60
   2987.67   7.476     58
   2937.32   7.350     58
   2936.40   7.348     68
   2928.47   7.328    802
   2922.67   7.314     86
   2921.30   7.310     57
   2832.34   7.088     58
   2831.12   7.084     65
   2830.35   7.083     77
   2829.44   7.080     82
   2828.06   7.077    109
   2821.35   7.060    600
   2820.74   7.059    604
   2814.18   7.042     87
   2813.11   7.039     71
   2811.43   7.035     58

KBr disc