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返回ChemicalBook首页>CAS数据库列表>28836-03-5更多图谱> 8-苯胺基-1-萘磺酸铵盐(28836-03-5)质谱(MS)

28836-03-5

8-苯胺基-1-萘磺酸铵盐(28836-03-5)质谱(MS)

分子式:C16H16N2O3S

分子量: 316.38

InChI:InChI=1S/C16H13NO3S.H3N/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);1H3

InChIKey: IPBNQYLKHUNLQE-UHFFFAOYSA-N

Smiles:S(C1=CC=CC2=CC=CC(NC3C=CC=CC=3)=C12)(O)(=O)=O.N

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    Mass

    MS-NW-8506          
    ammonium 8-anilino-1-naphthalenesulfonate
    C16H16N2O3S         (Mass of molecular ion:    316)
    

       Source Temperature: 210 °C
       Sample Temperature: 170 °C
       Direct, 75 eV
    

          16.0       1.5
          17.0       3.4
          18.0       9.4
          39.0       2.7
          50.0       1.8
          51.0       6.5
          62.0       1.4
          63.0       3.8
          64.0       1.3
          65.0       1.1
          74.0       1.8
          75.0       2.5
          76.0       1.6
          77.0       4.0
          81.0       1.4
          81.5       3.1
          82.0       2.2
          82.5       1.3
          87.0       1.7
          88.0       2.0
          89.0       1.5
          93.0       1.1
          93.5       3.2
          94.0       5.6
          94.5       7.7
          95.0       2.2
          95.5       7.3
          96.0       1.2
         101.0       1.2
         102.0       1.8
         107.5      15.1
         108.0       6.0
         108.5      18.3
         109.0       5.4
         109.5       1.4
         113.0       2.1
         114.0       1.7
         115.0       3.2
         126.0       1.4
         127.0       1.6
         139.0       1.1
         140.0       1.5
         150.0       1.0
         163.0       3.4
         164.0       2.1
         165.0       1.5
         172.0       1.2
         177.0       1.0
         187.0       2.7
         188.0       4.3
         189.0      13.4
         190.0       9.7
         191.0       2.1
         204.0       2.2
         214.0      10.4
         215.0      10.7
         216.0     100.0
         217.0      85.1
         218.0      42.6
         219.0      22.3
         220.0       3.4
         281.0      79.0
         282.0      14.8
         283.0       5.2
         299.0      23.8
         300.0       4.5
         301.0       1.6
    

400 MHz in DMSO-d6

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    1H NMR 399.65 MHz
    C16 H16 N2 O3 S 0.038 g : 0.5 ml DMSO-d6
    ammonium 8-anilino-1-naphthalenesulfonate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 10.62 B 8.252 C 7.875 D 7.497 E 7.438 F 7.39 G 7.38 J 7.204 K 7.092 L 7.09 M 6.781

         Hz     ppm     Int.
    

       4243.47  10.618    334
       3302.76   8.265    404
       3301.24   8.261    474
       3295.44   8.246    456
       3293.91   8.242    484
       3152.62   7.889    323
       3151.25   7.886    362
       3147.43   7.876     52
       3144.38   7.868    380
       3143.01   7.865    382
       3001.71   7.511    305
       3000.18   7.508    372
       2994.08   7.492    417
       2992.55   7.488    492
       2978.52   7.453    224
       2977.29   7.450    277
       2970.58   7.433    498
       2969.21   7.430    436
       2964.78   7.419     55
       2960.66   7.409    429
       2956.24   7.398    567
       2953.34   7.390    516
       2952.73   7.389    565
       2948.46   7.378    594
       2945.25   7.370    414
       2940.83   7.359    244
       2896.88   7.249     35
       2895.97   7.247     36
       2894.44   7.243     41
       2890.01   7.232    100
       2888.03   7.227    442
       2886.05   7.222    231
       2880.71   7.209    618
       2879.49   7.206    828
       2874.15   7.192    269
       2872.16   7.187    708
       2864.84   7.169     92
       2864.38   7.168     93
       2863.62   7.166     94
       2862.24   7.162     96
       2860.11   7.157     98
       2859.65   7.156     98
       2858.73   7.154     99
       2857.36   7.150    102
       2838.90   7.104    788
       2837.68   7.101   1000
       2830.20   7.082    738
       2829.13   7.080    681
       2813.11   7.039     96
       2812.35   7.038     94
       2809.60   7.031     85
       2807.77   7.026     80
       2806.85   7.024     78
       2805.48   7.020     73
       2803.80   7.016     69
       2802.89   7.014     67
       2801.36   7.010     64
       2799.68   7.006     61
       2798.16   7.002     57
       2796.94   6.999     53
       2795.72   6.996     51
       2795.26   6.995     50
       2793.88   6.991     46
       2793.27   6.990     46
       2791.60   6.986     43
       2790.07   6.982     42
       2788.24   6.977     39
       2786.10   6.972     34
       2784.12   6.967     31
       2783.51   6.965     31
       2782.90   6.964     30
       2781.98   6.962     30
       2718.35   6.802    140
       2717.29   6.800    253
       2716.06   6.797    182
       2711.03   6.784    242
       2709.96   6.781    458
       2709.05   6.779    294
       2703.86   6.766    135
       2702.79   6.763    225
       2701.57   6.760    147
    

in D2O

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KBr disc

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nujol mull

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