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102-49-8

3,4-二氯苄胺(102-49-8)Raman光谱

产品名称:3,4-二氯苄胺

CAS:102-49-8

分子式:C7H7Cl2N

分子量: 176.04

InChI:InChI=1S/C7H7Cl2N/c8-6-2-1-5(4-10)3-7(6)9/h1-3H,4,10H2

InChIKey: IXHNFOOSLAWRBQ-UHFFFAOYSA-N

Smiles:C1(CN)=CC=C(Cl)C(Cl)=C1

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    Mass

    MS-NW-5641          
    3,4-dichlorobenzylamine
    C7H7Cl2N            (Mass of molecular ion:    175)
    

       Source Temperature: 280 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          18.0       1.0
          28.0      34.0
          29.0      15.7
          30.0      50.2
          36.0       1.2
          37.0       1.7
          38.0       1.6
          39.0       2.0
          49.0       1.2
          50.0       5.3
          50.5       1.3
          51.0       5.3
          51.5       7.7
          52.0       3.4
          54.0       1.1
          61.0       1.7
          62.0       2.4
          63.0       3.5
          69.5       3.4
          70.5       1.2
          73.0       3.4
          74.0       6.0
          75.0       9.5
          76.0       2.0
          77.0      11.9
          78.0       2.4
          84.0       1.9
          85.0       2.0
          86.0       1.5
          87.0       2.3
          88.0       1.2
          89.0       3.0
          97.0       1.1
          99.0       1.3
         102.0       1.1
         104.0       3.7
         109.0       3.6
         110.0       1.2
         111.0      12.9
         112.0       2.7
         113.0       8.1
         114.0       1.0
         115.0       1.6
         123.0       5.8
         124.0       1.6
         125.0       4.9
         127.0       1.3
         138.0       1.3
         139.0       1.5
         140.0     100.0
         141.0      10.7
         142.0      32.2
         143.0       3.3
         145.0       1.8
         146.0       2.3
         147.0       4.9
         148.0       1.7
         149.0       2.8
         155.0       1.6
         159.0       9.2
         160.0       2.4
         161.0       6.1
         162.0       1.5
         163.0       1.2
         172.0       1.3
         174.0      33.8
         175.0       9.2
         176.0      23.4
         177.0       6.1
         178.0       5.1
         179.0       1.0
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C7 H7 Cl2 N 0.04 ml : 0.5 ml CDCl3
    3,4-dichlorobenzylamine
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.42 B 7.38 C 7.147 D 3.831 E 1.48 J(A,C)=2.0HZ. J(B,C)=8.2HZ.

         Hz     ppm     Int.
    

        667.31   7.451     66
        665.44   7.431    833
        665.00   7.426    863
        664.31   7.418    421
        663.44   7.408    549
        663.06   7.404    567
        657.13   7.338   1000
        644.31   7.195    287
        643.69   7.188    521
        643.06   7.181    307
        642.31   7.172    282
        641.69   7.165    428
        641.06   7.158    234
        636.06   7.103    134
        635.44   7.096    232
        634.81   7.089    151
        634.13   7.081    135
        633.50   7.074    222
        632.88   7.067    119
        348.81   3.895     52
        343.13   3.832    696
        132.06   1.475    247
    

in CDCl3

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liquid film

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