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返回ChemicalBook首页>CAS数据库列表>772-59-8更多图谱> 3-溴-4-甲氧基苯乙腈(772-59-8)核磁图(13CNMR)

772-59-8

3-溴-4-甲氧基苯乙腈(772-59-8)核磁图(13CNMR)

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

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    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

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

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KBr disc

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nujol mull

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