760-23-6

3,4-二氯-1-丁烯(760-23-6)紅外圖譜(IR1)

產(chǎn)品名稱:3,4-二氯-1-丁烯

CAS:760-23-6

分子式:C4H6Cl2

分子量: 125

InChI:InChI=1S/C4H6Cl2/c1-2-4(6)3-5/h2,4H,1,3H2

InChIKey: XVEASTGLHPVZNA-UHFFFAOYSA-N

Smiles:C=CC(Cl)CCl

Mass

MS-NW-4946          
3,4-dichloro-1-butene
C4H6Cl2             (Mass of molecular ion:    124)

   Source Temperature: 260 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      26.0       6.6
      27.0      27.8
      28.0       3.2
      35.0       1.0
      36.0       3.1
      37.0       2.1
      38.0       3.1
      39.0      35.7
      40.0       1.6
      41.0       1.1
      49.0       9.5
      50.0       6.0
      51.0       9.8
      52.0       3.7
      53.0      38.1
      54.0       6.1
      61.0       3.7
      62.0       7.4
      63.0       2.4
      64.0       2.4
      73.0       1.4
      75.0     100.0
      76.0       3.6
      77.0      31.8
      78.0       1.1
      87.0       1.2
      88.0      20.8
      89.0      43.7
      90.0       8.8
      91.0      14.2
     124.0       2.0
     126.0       1.4

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₄ H₆ Cl₂	0.05 ml : 0.5 ml CDCl₃
3,4-dichloro-1-butene

    Assign.     Shift(ppm)

      A             5.887
      B             5.430
      C             5.325
      D             4.495
      E     *1      3.781
      F     *1      3.676

     Hz     ppm     Int.

   2371.09   5.933    347
   2363.04   5.913    375
   2360.96   5.908    391
   2354.25   5.891    444
   2352.91   5.888    418
   2346.19   5.871    444
   2344.12   5.866    457
   2336.06   5.846    454
   2181.76   5.460     41
   2178.83   5.452    592
   2177.86   5.450    952
   2177.00   5.448    595
   2161.87   5.410    513
   2161.01   5.408    821
   2160.16   5.406    490
   2133.79   5.340    620
   2133.06   5.338    956
   2132.32   5.336    574
   2123.66   5.314    562
   2122.92   5.312    880
   2122.07   5.310    545
   1807.62   4.524    146
   1806.88   4.522    223
   1806.03   4.520    145
   1802.12   4.510    169
   1801.39   4.508    251
   1800.42   4.505    203
   1799.68   4.504    286
   1798.83   4.502    412
   1798.10   4.500    268
   1794.19   4.490    278
   1793.33   4.488    424
   1792.48   4.486    287
   1791.75   4.484    198
   1790.89   4.482    251
   1790.04   4.480    159
   1788.09   4.475     31
   1786.13   4.470    151
   1785.40   4.468    232
   1784.55   4.466    149
   1520.87   3.806    638
   1515.38   3.792    624
   1509.64   3.778   1000
   1504.15   3.764    950
   1477.42   3.697    989
   1469.48   3.677    961
   1466.19   3.669    643
   1458.25   3.649    622

in CDCl3