21285-46-1

反式-2,3-二溴-2-丁烯-1,4-二醇(21285-46-1)紅外圖譜(IR2)

產(chǎn)品名稱:反式-2,3-二溴-2-丁烯-1,4-二醇

CAS:21285-46-1

分子式:C4H6Br2O2

分子量: 245.9

InChI:InChI=1S/C4H6Br2O2/c5-3(1-7)4(6)2-8/h7-8H,1-2H2/b4-3+

InChIKey: MELXIJRBKWTTJH-ONEGZZNKSA-N

Smiles:C(O)/C(/Br)=C(\Br)/CO

Mass

MS-IW-0855          
trans-2,3-dibromo-2-butene-1,4-diol
C4H6Br2O2           (Mass of molecular ion:    244)

   Source Temperature: 110 °C
   Sample Temperature:  90 °C
   Direct, 75 eV

      15.0       2.3
      17.0       2.1
      18.0      11.3
      19.0       1.8
      25.0       1.5
      26.0       9.7
      27.0      29.6
      28.0       6.5
      29.0     100.0
      30.0       4.2
      31.0      63.1
      37.0       5.6
      38.0      16.4
      39.0      86.5
      40.0      10.8
      41.0       8.4
      42.0       5.7
      43.0       7.3
      45.0       1.1
      47.0       2.3
      49.0       1.0
      50.0       4.7
      51.0       5.6
      52.0       1.7
      53.0       7.2
      54.0       2.4
      55.0      31.5
      56.0       4.3
      57.0      94.5
      58.0       4.4
      66.0       2.3
      67.0       4.7
      68.0      24.0
      69.0       4.4
      79.0       1.8
      80.0       4.3
      81.0       2.6
      82.0       4.4
      83.0       1.7
      84.0       1.8
      85.0      96.2
      86.0      40.2
      87.0       2.1
      93.0       3.8
      95.0       3.4
     104.0       2.4
     105.0      10.1
     106.0       3.0
     107.0      13.4
     109.0       5.5
     111.0       1.7
     117.0      11.7
     118.0       6.8
     119.0      71.7
     120.0       7.9
     121.0      60.8
     122.0       2.7
     123.0       2.0
     131.0       1.3
     133.0       4.4
     135.0       9.1
     137.0       6.0
     146.0       1.6
     147.0      53.3
     148.0       4.1
     149.0      52.1
     150.0       2.4
     165.0       9.5
     167.0       9.1
     183.0       1.2
     185.0       2.8
     187.0       2.0
     197.0       1.3
     198.0       1.5
     199.0       2.8
     200.0       1.8
     201.0       2.1
     213.0       1.2
     215.0       2.1
     217.0       1.0
     226.0       2.9
     228.0       5.7
     230.0       2.7
     244.0      38.4
     245.0       1.8
     246.0      75.0
     247.0       3.4
     248.0      36.8
     249.0       1.6

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₄ H₆ Br₂ O₂	0.034 g : 0.5 ml DMSO-d₆
trans-2,3-dibromo-2-butene-1,4-diol

    Assign.     Shift(ppm)

      A             5.54
      B             4.322

     Hz     ppm     Int.

   2222.17   5.561    244
   2215.94   5.545    539
   2209.84   5.530    259
   1730.59   4.331   1000
   1724.37   4.315    984
   1717.04   4.297     34
   1710.69   4.281     21

in DMSO-d6