102-49-8

3,4-二氯苄胺(102-49-8)质谱(MS)

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

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

¹H NMR	89.56 MHz
C₇ H₇ Cl₂ N	0.04 ml : 0.5 ml CDCl₃
3,4-dichlorobenzylamine

    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