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网站主页CAS数据库列表 53941-45-0更多图谱2-苯基甘油腈盐酸盐(53941-45-0)质谱(MS)

2-苯基甘油腈盐酸盐

产品名称 2-苯基甘油腈盐酸盐

CAS号53941-45-0

分子式C8H9ClN2

分子量168.62

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  • Mass

    MS-NW-7381          
    alpha-aminophenylacetonitrile hydrochloride
    C8H8N2 HCl          (Mass of molecular ion:    132)
    

       Source Temperature: 170 °C
       Sample Temperature: 140 °C
       Direct, 75 eV
    

          26.0       1.4
          27.0       6.1
          28.0      11.6
          29.0       2.9
          30.0       1.6
          35.0       5.4
          36.0      26.7
          37.0       2.9
          38.0       8.7
          39.0       8.4
          49.0       1.7
          50.0      16.8
          51.0      29.7
          52.0      10.3
          53.0       8.2
          54.0       3.2
          55.0      14.3
          61.0       2.0
          62.0       4.3
          63.0       8.2
          64.0       2.8
          65.0       2.8
          66.0       1.3
          73.0       1.9
          74.0       6.0
          75.0       4.5
          76.0       6.4
          77.0      43.1
          78.0      30.0
          79.0      32.7
          80.0       2.6
          87.0       1.4
          88.0       3.1
          89.0      11.9
          90.0       3.0
         102.0       1.2
         103.0       2.9
         104.0      56.0
         105.0      32.7
         106.0      21.7
         107.0       2.7
         114.0       3.3
         115.0      14.4
         116.0      31.7
         117.0       3.4
         131.0     100.0
         132.0      90.2
         133.0       9.2
    

400 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C8 H8 N2 0.040 g : 0.5 ml DMSO-d6
    alpha-aminophenylacetonitrile hydrochloride
    ChemicalStructure
        Assign.     Shift(ppm)
    A 9.95 B 7.750 C 7.53 D 6.038

         Hz     ppm     Int.
    

       3978.93   9.957    122
       3107.79   7.777     35
       3102.66   7.764    351
       3100.28   7.758    231
       3099.18   7.755    361
       3098.08   7.752    392
       3094.96   7.745    451
       3092.95   7.740    429
       3089.10   7.730     70
       3021.70   7.561     59
       3020.78   7.559     57
       3019.87   7.557     50
       3015.47   7.546    189
       3014.00   7.542    196
       3011.99   7.537    617
       3010.71   7.534    564
       3007.41   7.526    895
       3005.21   7.520   1000
       3001.18   7.510    125
       2998.99   7.505     42
       2997.52   7.501     58
       2995.32   7.495     67
       2993.49   7.491     74
       2413.40   6.039    943
    

KBr disc



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