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6306-60-1

2,4-二氯苯乙腈(6306-60-1)Raman光谱

产品名称:2,4-二氯苯乙腈

CAS:6306-60-1

分子式:C8H5Cl2N

分子量: 186.04

InChI:InChI=1S/C8H5Cl2N/c9-7-2-1-6(3-4-11)8(10)5-7/h1-2,5H,3H2

InChIKey: VJARIBGMDPJLCL-UHFFFAOYSA-N

Smiles:C1(CC#N)=CC=C(Cl)C=C1Cl

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    Mass

    MS-NW-6506          
    (2,4-dichlorophenyl)acetonitrile
    C8H5Cl2N            (Mass of molecular ion:    185)
    

       Source Temperature: 250 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          36.0       1.2
          37.0       1.9
          38.0       1.8
          39.0       2.6
          43.0       1.8
          49.0       1.3
          50.0       3.7
          51.0       1.5
          56.5       2.0
          57.0       1.1
          57.5       1.2
          61.0       4.0
          62.0       4.7
          63.0       4.8
          64.0       1.6
          73.0       4.7
          74.0       4.0
          74.5       3.0
          75.0       4.6
          75.5       1.0
          76.0       1.1
          84.0       1.4
          85.0       1.7
          86.0       2.2
          87.0       4.2
          88.0       3.8
          89.0       2.0
          92.5       1.6
          93.5       1.2
          97.0       1.9
          98.0       1.0
          99.0       1.4
         109.0       1.6
         114.0      14.4
         115.0       3.0
         123.0      11.5
         124.0       2.8
         125.0       3.9
         148.0       1.2
         149.0       6.6
         150.0     100.0
         151.0      11.2
         152.0      33.4
         153.0       3.0
         157.0       1.4
         158.0       1.6
         159.0       2.5
         160.0       1.2
         161.0       1.2
         184.0       3.3
         185.0      41.2
         186.0       5.9
         187.0      26.3
         188.0       2.8
         189.0       4.4
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C8 H5 Cl2 N 0.047 g : 0.5 ml CDCl3
    (2,4-dichlorophenyl)acetonitrile
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.44 B 7.44 C 7.32 D 3.797

         Hz     ppm     Int.
    

        672.81   7.513    110
        672.25   7.507    113
        671.63   7.500     43
        667.00   7.448    243
        665.19   7.428    563
        664.38   7.419    425
        663.81   7.412    290
        658.00   7.348    361
        656.19   7.327    266
        655.25   7.317     59
        649.56   7.253     86
        647.75   7.233     88
        340.13   3.798   1000
    

in CDCl3

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KBr disc

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nujol mull

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4880 A,200 M,powder

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