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13078-80-3

2-氯苯乙胺(13078-80-3)质谱(MS)

产品名称:2-氯苯乙胺

CAS:13078-80-3

分子式:C8H10ClN

分子量: 155.62

InChI:InChI=1S/C8H10ClN/c9-8-4-2-1-3-7(8)5-6-10/h1-4H,5-6,10H2

InChIKey: RZBOMSOHMOVUES-UHFFFAOYSA-N

Smiles:C1(CCN)=CC=CC=C1Cl

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    Mass

    MS-NW-6061          
    o-chlorophenethylamine
    C8H10ClN            (Mass of molecular ion:    155)
    

       Source Temperature: 260 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          28.0       2.3
          30.0     100.0
          31.0       1.4
          39.0       1.8
          51.0       1.4
          63.0       2.3
          65.0       1.2
          77.0       1.0
          89.0       3.0
          90.0       1.2
          91.0       4.1
         120.0       5.9
         125.0       2.9
         126.0       1.0
         127.0       1.0
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C8 H10 Cl N 0.05 ml : 0.5 ml CDCl3
    o-chlorophenethylamine
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.326 B 7.200 C 7.17 D 7.12 E 2.938 F 2.854 G 1.47

         Hz     ppm     Int.
    

       2932.74   7.339    455
       2931.40   7.335    430
       2925.17   7.320    620
       2923.71   7.316    592
       2883.91   7.217    229
       2881.71   7.211    303
       2876.59   7.198    547
       2876.22   7.197    545
       2874.39   7.193    705
       2871.34   7.185    365
       2869.75   7.181    400
       2864.14   7.167    709
       2862.67   7.163    629
       2856.81   7.149    390
       2854.74   7.144    578
       2852.29   7.137    464
       2847.05   7.124    477
       2844.97   7.119    449
       2839.60   7.106    214
       2837.52   7.101    174
       1183.23   2.961    399
       1181.64   2.957    430
       1176.76   2.945    605
       1175.54   2.942    898
       1175.05   2.941    893
       1174.44   2.939    779
       1169.07   2.926    944
       1168.09   2.923   1000
       1150.27   2.879     81
       1146.85   2.870    809
       1140.38   2.854    862
       1133.91   2.838    348
       1132.45   2.834    332
        587.77   1.471    316
    

in CDCl3

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liquid film

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