104484-71-1

N-(1-萘)-3-氨基丙磺酸鈉鹽(104484-71-1)核磁圖(¹HNMR)

分子式:C13H14NNaO3S

分子量: 287.31

InChI:InChI=1S/C13H15NO3S.Na/c15-18(16,17)10-4-9-14-13-8-3-6-11-5-1-2-7-12(11)13;/h1-3,5-8,14H,4,9-10H2,(H,15,16,17);/q;+1/p-1

InChIKey: HSOPFPPLFWZKJN-UHFFFAOYSA-M

Smiles:C12C=CC=CC1=CC=CC=2NCCCS([O-])(=O)=O.[Na+]

¹HNMR

IR1

IR2

400 MHz in DMSO-d6

90 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₃ H₁₄ N Na O₃ S	0.035 g : 0.5 ml DMSO-d₆
sodium 3-(1-naphthylamino)-1-propanesulfonate

    Assign.     Shift(ppm)

      A             8.172
      B             7.733
      C     *1      7.415
      D     *1      7.374
      E             7.269
      F             7.072
      G             6.493
      J             6.38
      K             3.286
      L             2.655
      M             2.035

     Hz     ppm     Int.

   3270.51   8.184    428
   3266.60   8.174     66
   3266.36   8.174     66
   3265.75   8.172     64
   3265.26   8.171     73
   3264.89   8.170     85
   3262.21   8.163    462
   3095.46   7.746    425
   3093.99   7.742    495
   3091.67   7.736     72
   3090.82   7.734     66
   3090.09   7.732     68
   3085.94   7.722    506
   2972.29   7.438    225
   2971.07   7.435    267
   2969.60   7.431     73
   2968.75   7.429     63
   2968.14   7.427     68
   2965.58   7.421    470
   2964.36   7.418    538
   2963.01   7.415    279
   2960.94   7.409     75
   2960.57   7.408     74
   2959.84   7.407     75
   2957.76   7.401    460
   2956.18   7.397    432
   2953.86   7.392    416
   2952.27   7.388    447
   2949.71   7.381     76
   2948.85   7.379     79
   2947.02   7.375    255
   2945.43   7.371    494
   2944.09   7.367    420
   2940.92   7.359     55
   2938.72   7.354    220
   2937.26   7.350    201
   2913.57   7.291    393
   2909.67   7.281     56
   2909.06   7.280     63
   2905.64   7.271    792
   2902.59   7.263     66
   2902.22   7.262     56
   2901.73   7.261     57
   2900.88   7.259     53
   2900.51   7.258     55
   2897.83   7.251    510
   2833.01   7.089     64
   2829.96   7.082    649
   2826.17   7.072     64
   2825.44   7.070     62
   2821.90   7.061    538
   2602.66   6.513     53
   2602.29   6.512     58
   2598.88   6.503    574
   2598.51   6.502    570
   2595.34   6.495     73
   2595.09   6.494     73
   2594.48   6.492     73
   2591.43   6.485    552
   2591.06   6.484    555
   2560.42   6.407     55
   2559.69   6.405     68
   2556.88   6.398    217
   2556.52   6.397    221
   2551.51   6.385    421
   2548.46   6.377    147
   2546.39   6.372    216
   2546.02   6.371    218
   2543.70   6.365     73
   1322.88   3.311    275
   1316.16   3.294    624
   1310.67   3.280    626
   1307.01   3.271    170
   1306.40   3.269    149
   1303.83   3.263    284
   1301.03   3.256     68
   1300.66   3.255     55
   1073.61   2.687     64
   1073.36   2.686     64
   1071.90   2.683     92
   1068.60   2.674    671
   1065.31   2.666    140
   1061.52   2.657   1000
   1053.96   2.638    726
    829.22   2.075     73
    827.27   2.070    180
    824.34   2.063     98
    823.97   2.062     98
    823.61   2.061    108
    820.31   2.053    515
    816.65   2.044    163
    812.99   2.035    676
    809.33   2.026    147
    805.79   2.017    477
    802.25   2.008     76
    801.76   2.007     63
    801.03   2.005     69
    798.83   1.999    142

¹H NMR	89.56 MHz
C₁₃ H₁₄ N Na O₃ S	0.036 g : 0.5 ml DMSO-d₆
sodium 3-(1-naphthylamino)-1-propanesulfonate

    Assign.     Shift(ppm)

      A             8.17
      B             7.723
      C          7.58 to 7.24
      D             7.28
      E             7.08
      F             6.50
      G             6.36
      J             3.29
      K             2.66
      L             2.04
     
     SIGNAL J OVERLAPPED BY H2O.

     Hz     ppm     Int.

    736.50   8.224    250
    734.69   8.204    188
    734.38   8.200    169
    731.44   8.168    246
    731.13   8.164    251
    729.81   8.149    205
    729.44   8.145    197
    726.88   8.117    282
    697.50   7.789    241
    694.63   7.757    186
    694.25   7.752    189
    693.06   7.739    287
    689.63   7.701    273
    687.94   7.682    404
    671.00   7.493    172
    666.44   7.442    661
    665.69   7.433    600
    664.19   7.417    430
    663.19   7.405    235
    661.44   7.386    537
    659.31   7.362    413
    659.00   7.359    409
    658.19   7.350    429
    656.75   7.334    458
    655.94   7.325    387
    654.63   7.310    139
    654.25   7.306    140
    651.63   7.276    558
    644.13   7.193    520
    636.19   7.104    562
    628.63   7.020    248
    585.38   6.537    429
    578.00   6.454    403
    577.13   6.445    373
    575.19   6.423    195
    574.06   6.410    169
    573.50   6.404    160
    569.50   6.359    307
    567.38   6.336    152
    565.38   6.313    147
    565.00   6.309    151
    564.56   6.304    159
    564.19   6.300    168
    302.63   3.380   1000
    299.19   3.341    513
    297.81   3.326    601
    297.50   3.322    597
    295.06   3.295    287
    294.50   3.289    280
    292.13   3.262    556
    287.44   3.210    185
    286.94   3.204    202
    286.06   3.195    241
    285.44   3.188    259
    285.31   3.186    259
    245.69   2.744    313
    238.63   2.665    783
    235.06   2.625    154
    233.88   2.612    158
    233.38   2.606    186
    231.25   2.583    607
    196.56   2.195    145
    195.88   2.188    149
    195.56   2.184    152
    195.00   2.178    138
    188.88   2.109    412
    186.56   2.084    191
    185.88   2.076    149
    185.13   2.068    157
    181.88   2.031    512
    177.75   1.985    143
    175.31   1.958    295
    174.94   1.954    297
    174.50   1.949    302

KBr disc