1529-41-5

間氯氰芐(1529-41-5)核磁圖(¹HNMR)

產(chǎn)品名稱:間氯氰芐

CAS:1529-41-5

分子式:C8H6ClN

分子量: 151.59

InChI:InChI=1S/C8H6ClN/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6H,4H2

InChIKey: GTIKLPYCSAMPNG-UHFFFAOYSA-N

Smiles:C1(CC#N)=CC=CC(Cl)=C1

Mass

MS-NW-6076          
(m-chlorophenyl)acetonitrile
C8H6ClN             (Mass of molecular ion:    151)

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

      11.0       8.4
      14.5      29.0
      15.0       1.0
      19.0       3.3
      22.0       1.7
      26.5       2.0
      27.0       1.5
      29.0       1.0
      32.5       1.1
      33.0       1.3
      37.0       1.6
      38.0       2.1
      39.0       3.5
      42.0       1.4
      43.0       1.0
      44.5       1.8
      49.5       1.3
      50.0       5.3
      51.0       2.6
      57.0       1.2
      57.5       2.6
      61.0       2.0
      61.5       1.2
      62.0       3.1
      62.5       1.8
      63.0       5.1
      64.0       1.4
      65.0       1.0
      73.0       1.9
      74.0       1.9
      74.5       1.7
      75.0       5.1
      75.5       1.2
      76.0       1.6
      85.0       1.0
      86.0       1.5
      87.0       2.2
      88.0       3.0
      89.0      15.3
      90.0       3.1
      99.0       1.4
     111.0       1.8
     114.0       2.4
     115.0       2.8
     116.0     100.0
     117.0       9.9
     123.0       2.6
     124.0       1.2
     125.0       2.9
     150.0       3.5
     151.0      31.8
     152.0       4.5
     153.0      10.8
     154.0       1.3

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₈ H₆ Cl N	0.05 ml : 0.5 ml CDCl₃
(m-chlorophenyl)acetonitrile

    Assign.     Shift(ppm)

      A             7.30
      B             7.28
      C             7.20
      D             3.713

     Hz     ppm     Int.

   2925.17   7.320     55
   2924.32   7.318     48
   2920.53   7.308    207
   2919.80   7.306    278
   2918.95   7.304    354
   2918.09   7.302    398
   2917.11   7.300    649
   2916.26   7.298    387
   2915.53   7.296    303
   2915.16   7.295    314
   2913.45   7.291    226
   2911.74   7.286    727
   2910.52   7.283    493
   2906.98   7.274     63
   2905.03   7.269     62
   2886.60   7.223     34
   2883.91   7.217     97
   2883.30   7.215    167
   2882.57   7.213    118
   2881.23   7.210    137
   2879.64   7.206    151
   2878.30   7.203    174
   2877.08   7.200     82
   2876.71   7.199     85
   2875.73   7.196    109
   2874.63   7.193    121
   2873.90   7.192     74
   2873.41   7.190     71
   2872.68   7.188     94
   2871.95   7.187     53
   1484.38   3.715    851
   1483.76   3.713   1000

in CDCl3