82-76-8

8-苯胺-1-萘磺酸(82-76-8)红外图谱(IR1)

产品名称:8-苯胺-1-萘磺酸

CAS:82-76-8

分子式:C16H13NO3S

分子量: 299.34

InChI:InChI=1S/C16H13NO3S/c18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13-8-2-1-3-9-13/h1-11,17H,(H,18,19,20)

InChIKey: FWEOQOXTVHGIFQ-UHFFFAOYSA-N

Smiles:C1(S(O)(=O)=O)=C2C(C=CC=C2NC2=CC=CC=C2)=CC=C1

Mass

MS-IW-3895          
8-anilino-1-naphthalenesulfonic acid
C16H13NO3S          (Mass of molecular ion:    299)

   Source Temperature: 170 °C
   Sample Temperature: 180 °C
   Direct, 75 eV

      18.0       3.7
      39.0       2.1
      50.0       1.2
      51.0       4.6
      62.0       1.0
      63.0       3.1
      64.0       1.1
      65.0       1.6
      74.0       1.3
      75.0       2.1
      76.0       1.5
      77.0       4.5
      81.0       1.3
      81.5       2.7
      82.0       2.1
      82.5       1.4
      87.0       1.4
      88.0       2.0
      89.0       1.8
      93.0       1.2
      93.5       2.8
      94.0       4.8
      94.5       8.2
      95.0       2.5
      95.5       8.0
      96.0       1.4
     101.0       1.3
     102.0       2.0
     107.0       1.0
     107.5      16.2
     108.0       7.1
     108.5      30.0
     109.0      14.9
     109.5       2.8
     113.0       2.0
     114.0       2.3
     115.0       4.8
     126.0       1.6
     127.0       1.9
     139.0       1.2
     140.0       1.7
     163.0       2.4
     164.0       1.6
     165.0       1.4
     172.0       1.6
     187.0       1.7
     188.0       2.7
     189.0       9.7
     190.0       7.0
     191.0       1.9
     204.0       2.6
     214.0       7.5
     215.0       9.6
     216.0      80.4
     217.0     100.0
     218.0      93.6
     219.0      20.1
     220.0       2.2
     281.0       8.0
     282.0       1.5
     299.0      85.8
     300.0      16.2
     301.0       5.8

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₆ H₁₃ N O₃ S	0.040 g : 0.5 ml DMSO-d₆
8-anilino-1-naphthalenesulfonic acid

    Assign.     Shift(ppm)

      A            10.84
      B             8.261
      C             7.876
      D             7.499
      E             7.448
      F             7.39
      G             7.38
      J             7.211
      K             7.104
      L             6.793
     
     ASSIGNED BY H-H AND C-H COSY AND H-1 UNDECOUPLED C-13 NMR SPECTRUM.

     Hz     ppm     Int.

   4343.98  10.870     41
   4343.06  10.868     48
   4331.52  10.839    763
   4316.87  10.802     44
   4316.32  10.801     41
   4315.95  10.800     40
   4315.40  10.798     37
   4314.85  10.797     35
   4314.48  10.796     33
   4314.12  10.795     32
   4313.75  10.794     31
   3306.16   8.273    451
   3304.69   8.269    506
   3301.03   8.260     46
   3298.83   8.255    505
   3297.36   8.251    519
   3152.84   7.890    373
   3151.75   7.887    400
   3148.45   7.879     42
   3144.79   7.869    442
   3143.32   7.866    418
   3002.10   7.512    326
   3000.63   7.509    387
   2996.97   7.499     47
   2994.59   7.494    450
   2993.12   7.490    529
   2982.13   7.462    266
   2981.03   7.460    301
   2977.55   7.451     49
   2974.26   7.443    544
   2973.16   7.440    450
   2967.85   7.427     31
   2961.80   7.411    468
   2956.86   7.399    624
   2954.48   7.393    598
   2953.93   7.392    643
   2949.16   7.380    694
   2946.42   7.373    470
   2941.47   7.361    288
   2892.75   7.239     69
   2890.73   7.234    469
   2888.72   7.229    188
   2883.59   7.216    672
   2882.12   7.212    895
   2878.46   7.203     90
   2877.00   7.199    240
   2874.98   7.194    755
   2872.97   7.189    155
   2843.48   7.115    765
   2842.38   7.113   1000
   2840.36   7.108    299
   2834.87   7.094    710
   2833.77   7.091    608
   2723.14   6.814    153
   2722.04   6.812    281
   2720.94   6.809    185
   2718.19   6.802     38
   2714.71   6.793    520
   2708.67   6.778    154
   2707.57   6.775    252
   2706.47   6.773    156

in DMSO-d6