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19924-43-7

3-甲氧基苯乙腈(19924-43-7)Raman光谱

产品名称:3-甲氧基苯乙腈

CAS:19924-43-7

分子式:C9H9NO

分子量: 147.17

InChI:InChI=1S/C9H9NO/c1-11-9-4-2-3-8(7-9)5-6-10/h2-4,7H,5H2,1H3

InChIKey: LXKNAUOWEJWGTE-UHFFFAOYSA-N

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

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    Mass

    MS-IW-1303          
    (m-methoxyphenyl)acetonitrile
    C9H9NO              (Mass of molecular ion:    147)
    

       Source Temperature: 240 °C
       Sample Temperature: 160 °C
       Reservoir, 75 eV
    

          27.0       1.2
          28.0       1.0
          38.0       2.2
          39.0       4.8
          50.0       4.4
          51.0       8.0
          52.0       2.1
          62.0       2.2
          63.0       6.8
          64.0       3.9
          65.0       1.9
          74.0       1.2
          75.0       2.0
          76.0       4.6
          77.0      28.4
          78.0       6.5
          79.0       3.2
          88.0       1.1
          89.0       8.2
          90.0      13.0
          91.0       9.6
          92.0       3.7
         102.0       2.3
         103.0       1.9
         104.0      12.4
         105.0       2.3
         107.0      14.0
         108.0       1.1
         116.0      17.5
         117.0      18.8
         118.0       4.1
         119.0       3.4
         120.0       3.6
         121.0       2.4
         132.0      19.0
         133.0       1.8
         146.0      13.6
         147.0     100.0
         148.0      10.5
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C9 H9 N O 0.05 ml : 0.5 ml CDCl3
    (m-methoxyphenyl)acetonitrile
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.248 B *1 6.86 C *1 6.83 D 6.82 E 3.763 F 3.654

         Hz     ppm     Int.
    

       2905.52   7.271     98
       2902.83   7.264     34
       2899.29   7.255     58
       2897.83   7.251    112
       2896.12   7.247    153
       2891.11   7.235     60
       2889.04   7.229    109
       2748.41   6.878     92
       2747.44   6.875    130
       2746.70   6.873    133
       2745.85   6.871    108
       2740.84   6.859     81
       2739.75   6.856    113
       2739.26   6.855    119
       2738.16   6.852    100
       2737.55   6.850     62
       2735.84   6.846     72
       2733.76   6.841    127
       2733.28   6.840    125
       2729.61   6.831    119
       2727.05   6.824    276
       2726.07   6.822    257
       1504.15   3.764   1000
       1460.82   3.656    529
    

in CDCl3

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liquid film

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