616-21-7

1,2-二氯丁烷(616-21-7)質(zhì)譜(MS)

產(chǎn)品名稱:1,2-二氯丁烷

CAS:616-21-7

分子式:C4H8Cl2

分子量: 127.01

InChI:InChI=1S/C4H8Cl2/c1-2-4(6)3-5/h4H,2-3H2,1H3

InChIKey: PQBOTZNYFQWRHU-UHFFFAOYSA-N

Smiles:C(Cl)C(Cl)CC

Mass

MS-NW-4357          
1,2-dichlorobutane
C4H8Cl2             (Mass of molecular ion:    126)

   Source Temperature: 230 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       1.7
      26.0       6.9
      27.0      32.4
      28.0       5.2
      29.0      27.5
      35.0       1.2
      36.0       2.5
      37.0       2.3
      38.0       3.9
      39.0      27.2
      40.0       2.8
      41.0      91.0
      42.0       4.5
      49.0      13.3
      50.0       4.5
      51.0       4.9
      52.0       1.4
      53.0      11.1
      54.0      19.0
      55.0     100.0
      56.0       5.9
      60.0       1.0
      61.0       9.3
      62.0      32.4
      63.0      10.0
      64.0      10.4
      65.0       2.3
      73.0       1.2
      75.0      10.9
      76.0      41.5
      77.0      97.3
      78.0      16.3
      79.0      30.5
      80.0       1.0
      89.0       3.6
      90.0      38.6
      91.0       7.4
      92.0      12.5
      93.0       2.1
      96.0       1.3
      97.0       3.6
      98.0       1.0
      99.0       2.3
     111.0       1.2

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₄ H₈ Cl₂	0.02 ml : 0.5 ml CDCl₃
1,2-dichlorobutane

    Assign.     Shift(ppm)

      A             3.98
      B     *1      3.76
      C     *1      3.67
      D     *2      2.05
      E     *2      1.75
      F             1.07
     
     J(B,C)=-11.2HZ
     J(A,B)=5.0HZ
     J(A,C)=7.8HZ

     Hz     ppm     Int.

    363.13   4.055     77
    359.13   4.010     84
    358.19   4.000    124
    355.31   3.968     67
    354.25   3.956    117
    351.31   3.923     62
    350.44   3.913     91
    347.13   3.876    129
    342.19   3.821     55
    336.06   3.753    646
    333.56   3.725    689
    331.06   3.697    314
    325.88   3.639    399
    322.50   3.601     92
    314.75   3.515     71
    184.38   2.059    104
    180.38   2.015    110
    177.94   1.987     76
    176.88   1.975    115
    172.88   1.931    107
    170.50   1.904    118
    169.88   1.897     74
    165.94   1.853     58
    163.44   1.825    139
    162.75   1.818     94
    156.75   1.751     97
    155.69   1.739    109
    149.06   1.665    100
    102.06   1.140    464
     94.81   1.059   1000
     87.63   0.979    293
     86.75   0.969    171

in CDCl3