772-59-8

3-溴-4-甲氧基苯乙腈(772-59-8)核磁图(¹³CNMR)

产品名称:3-溴-4-甲氧基苯乙腈

CAS:772-59-8

分子式:C9H8BrNO

分子量: 226.07

InChI:InChI=1S/C9H8BrNO/c1-12-9-3-2-7(4-5-11)6-8(9)10/h2-3,6H,4H2,1H3

InChIKey: OBJKHHRZMIIEOK-UHFFFAOYSA-N

Smiles:C1(CC#N)=CC=C(OC)C(Br)=C1

Mass

MS-IW-3603          
(3-bromo-4-methoxyphenyl)acetonitrile
C9H8BrNO            (Mass of molecular ion:    225)

   Source Temperature: 210 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      15.0       1.2
      27.0       1.3
      28.0       1.2
      37.0       1.3
      38.0       2.3
      39.0       3.7
      50.0       9.1
      51.0       9.8
      52.0       2.7
      53.0       2.8
      61.0       2.3
      62.0       5.5
      63.0       9.9
      64.0       2.3
      65.0       1.8
      74.0       3.8
      75.0      10.3
      76.0      15.8
      77.0       9.0
      78.0       2.3
      87.0       1.9
      88.0       3.7
      89.0      10.8
      90.0       2.8
      91.0       7.5
     102.0      15.7
     103.0      54.7
     104.0       4.9
     105.0       1.9
     114.0       2.8
     115.0       4.2
     116.0      10.9
     117.0       2.7
     118.0       2.5
     119.0       1.5
     130.0       4.9
     131.0       3.0
     132.0       1.0
     146.0     100.0
     147.0      12.5
     182.0       4.9
     184.0       5.0
     194.0       1.0
     196.0       1.1
     210.0       9.9
     211.0       1.0
     212.0       9.6
     224.0       2.4
     225.0      70.2
     226.0       9.4
     227.0      68.2
     228.0       7.0

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₉ H₈ Br N O	0.030 g : 0.5 ml CDCl₃
(3-bromo-4-methoxyphenyl)acetonitrile

    Assign.     Shift(ppm)

      A             7.501
      B             7.245
      C             6.892
      D             3.898
      E             3.679

     Hz     ppm     Int.

   2999.27   7.505    128
   2998.66   7.504     84
   2997.68   7.501     83
   2996.95   7.499    129
   2901.86   7.262     38
   2901.12   7.260     65
   2900.51   7.258     42
   2899.54   7.256     41
   2898.80   7.254     61
   2898.19   7.252     37
   2893.43   7.240     41
   2892.70   7.239     73
   2891.97   7.237     47
   2891.11   7.235     45
   2890.38   7.233     69
   2889.77   7.231     40
   2758.54   6.903    143
   2750.00   6.882    127
   1557.98   3.899   1000
   1470.58   3.680    435

in CDCl3