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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

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    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

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

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KBr disc

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nujol mull

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