533-98-2

1,2-二溴丁烷(533-98-2)核磁图(¹³CNMR)

产品名称:1,2-二溴丁烷

CAS:533-98-2

分子式:C4H8Br2

分子量: 215.91

InChI:InChI=1S/C4H8Br2/c1-2-4(6)3-5/h4H,2-3H2,1H3

InChIKey: CZWSZZHGSNZRMW-UHFFFAOYSA-N

Smiles:C(Br)C(Br)CC

Mass

MS-NW-4359          
1,2-dibromobutane
C4H8Br2             (Mass of molecular ion:    214)

   Source Temperature: 220 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      26.0       4.1
      27.0      21.3
      28.0       3.0
      29.0      26.1
      37.0       1.1
      38.0       2.2
      39.0      18.1
      40.0       1.5
      41.0      14.4
      50.0       2.2
      51.0       2.7
      52.0       1.0
      53.0       7.8
      54.0       1.6
      55.0     100.0
      56.0       7.0
      79.0       1.2
      80.0       1.1
      81.0       1.2
      82.0       1.2
      93.0       2.1
      95.0       1.9
     105.0       1.6
     106.0       1.7
     107.0       5.8
     108.0       1.8
     109.0       4.1
     119.0       1.6
     121.0       1.4
     135.0      67.2
     136.0       3.4
     137.0      65.2
     138.0       3.3

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₄ H₈ Br₂	0.02 ml : 0.5 ml CDCl₃
1,2-dibromobutane

    Assign.     Shift(ppm)

      A             4.156
      B     *1      3.851
      C     *1      3.638
      D     *2      2.195
      E     *2      1.831
      F             1.073
     
     J(A,B)=4.5HZ
     J(A,C)=10.0HZ
     J(B,C)=-10.1HZ

     Hz     ppm     Int.

    367.63   4.105    107
    352.69   3.939    145
    348.25   3.889    100
    342.56   3.825    380
    338.06   3.775    232
    333.88   3.729    422
    323.94   3.618    359
    313.88   3.505    103
    196.19   2.191     85
    188.88   2.109     85
    185.44   2.071    106
    178.00   1.988     96
    170.94   1.909    113
    163.00   1.821     97
    102.63   1.146    415
     95.38   1.065   1000
     88.25   0.986    278
     87.50   0.977    163

in CDCl3