542-16-5

苯胺硫酸鹽(2:1)(542-16-5)紅外圖譜(IR2)

產(chǎn)品名稱:苯胺硫酸鹽(2:1)

CAS:542-16-5

分子式:C12H16N2O4S

分子量: 284.33

InChI:InChI=1S/C6H7N.H2O4S/c7-6-4-2-1-3-5-6;1-5(2,3)4/h1-5H,7H2;(H2,1,2,3,4)

InChIKey: NTOLGSSKLPLTDW-UHFFFAOYSA-N

Smiles:NC1=CC=CC=C1.S(O)(O)(=O)=O

90 MHz in DMSO-d6

400 MHz in DMSO-d6

¹H NMR	89.56 MHz
C₆ H₇ N	0.039 g : 0.5 ml DMSO-d₆
aniline sulfate

    Assign.     Shift(ppm)

      A             7.26
      B             7.07
      C             7.00
      D             6.93

     Hz     ppm     Int.

    658.75   7.356    122
    657.63   7.343    231
    655.81   7.323    108
    654.75   7.311     58
    653.06   7.292    116
    652.31   7.284     87
    651.38   7.274    219
    650.88   7.268    164
    650.06   7.259    328
    649.06   7.248    479
    647.94   7.235    150
    646.06   7.214    168
    644.44   7.196    114
    643.06   7.181    574
    642.25   7.172    499
    640.50   7.152    200
    639.50   7.141    132
    637.50   7.119    187
    636.88   7.112    190
    635.38   7.095    219
    631.88   7.056    286
    630.38   7.039    424
    629.31   7.027    799
    628.63   7.020   1000
    627.75   7.010    768
    625.56   6.985    308
    624.00   6.968    289
    622.31   6.949    466
    621.69   6.942    466
    620.88   6.933    469
    620.25   6.926    309
    619.44   6.917    362
    617.94   6.900     85
    616.88   6.888    107
    616.25   6.881    137
    614.81   6.865    174
    613.38   6.849     94

¹H NMR	399.65 MHz
C₆ H₇ N	0.035 g : 0.5 ml DMSO-d₆
aniline sulfate

    Assign.     Shift(ppm)

      A             8.0
      B             7.254
      C             6.99
      D             6.96

     Hz     ppm     Int.

   3180.42   7.959     44
   2910.03   7.282     94
   2908.20   7.277    538
   2906.25   7.272    202
   2903.08   7.265    127
   2900.88   7.259    809
   2899.78   7.256    841
   2897.83   7.251    153
   2894.41   7.243    254
   2893.19   7.240    324
   2892.33   7.238    700
   2890.26   7.232    104
   2798.58   7.003    149
   2796.88   6.999    685
   2795.78   6.996   1000
   2793.58   6.991    287
   2790.41   6.983    413
   2789.31   6.980    665
   2788.21   6.977    896
   2787.11   6.974    727
   2784.91   6.969    137
   2783.08   6.964    311
   2782.10   6.962    531
   2778.44   6.953     32
   2775.88   6.946    171
   2774.78   6.944    256
   2773.56   6.940    136

DMSO-d6