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

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

¹H NMR	399.65 MHz
C₈ H₁₀ Cl N	0.05 ml : 0.5 ml CDCl₃
o-chlorophenethylamine

    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