95-00-1

2,4-二氯苯甲胺(95-00-1)質(zhì)譜(MS)

產(chǎn)品名稱:2,4-二氯苯甲胺

CAS:95-00-1

分子式:C7H7Cl2N

分子量: 176.04

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

InChIKey: SJUKJZSTBBSGHF-UHFFFAOYSA-N

Smiles:C1(CN)=CC=C(Cl)C=C1Cl

Mass

MS-NW-5645          
2,4-dichlorobenzylamine
C7H7Cl2N            (Mass of molecular ion:    175)

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

      28.0      29.0
      29.0      18.6
      30.0      49.5
      36.0       1.3
      37.0       1.7
      38.0       1.7
      39.0       1.6
      49.0       1.1
      50.0       6.3
      50.5       1.6
      51.0       6.3
      51.5      10.1
      52.0       2.9
      61.0       1.5
      62.0       2.2
      63.0       3.0
      69.5       4.3
      70.0       1.0
      70.5       1.4
      73.0       3.3
      74.0       6.2
      75.0      10.1
      76.0       2.3
      77.0      11.5
      78.0       2.1
      84.0       1.5
      85.0       1.9
      86.0       1.2
      87.0       2.4
      88.0       1.1
      89.0       2.5
      99.0       1.1
     100.0       1.3
     102.0       2.5
     104.0       2.4
     109.0       2.4
     110.0       1.0
     111.0      12.6
     112.0       2.4
     113.0       8.2
     114.0       1.1
     115.0       1.4
     123.0       5.2
     124.0       1.5
     125.0       2.0
     136.0       1.4
     138.0       3.7
     139.0       1.1
     140.0     100.0
     141.0       9.3
     142.0      34.6
     143.0       3.0
     146.0       3.3
     147.0       2.8
     148.0       2.5
     149.0       1.8
     159.0      11.0
     160.0       1.2
     161.0       6.6
     163.0       1.2
     172.0       1.3
     174.0      37.6
     175.0       8.9
     176.0      25.2
     177.0       5.5
     178.0       4.2

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₇ H₇ Cl₂ N	0.04 ml : 0.5 ml CDCl₃
2,4-dichlorobenzylamine

    Assign.     Shift(ppm)

      A             7.35
      B             7.32
      C             7.226
      D             3.887
      E             1.46
     
     J(A,C)=1.8HZ. J(B,C)=8.3HZ.

     Hz     ppm     Int.

    664.50   7.420     27
    663.94   7.414     28
    661.50   7.387    235
    661.00   7.381    186
    658.94   7.358    602
    657.13   7.338    686
    653.25   7.294    867
    652.75   7.289    762
    649.56   7.253    910
    647.75   7.233    623
    641.31   7.161    202
    639.50   7.141    150
    348.19   3.888   1000
    342.56   3.825     42
    342.19   3.821     40
    341.13   3.809     30
    130.81   1.461    281

in CDCl3