1,4-二氯-2-丁烯(764-41-0)質(zhì)譜(MS)

產(chǎn)品名稱:1,4-二氯-2-丁烯

CAS:764-41-0

分子式:C4H6Cl2

分子量: 125

InChI:InChI=1S/C4H6Cl2/c5-3-1-2-4-6/h1-2H,3-4H2

InChIKey: FQDIANVAWVHZIR-UHFFFAOYSA-N

Smiles:C(Cl)C=CCCl

Mass

MS-IW-2351          
1,4-dichloro-2-butene
C4H6Cl2             (Mass of molecular ion:    124)

   Source Temperature: 200 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      26.0       5.7
      27.0      25.0
      28.0       2.9
      35.0       1.2
      36.0       3.0
      37.0       1.9
      38.0       3.1
      39.0      24.0
      40.0       1.1
      41.0       3.9
      43.0       1.6
      49.0       9.2
      50.0       8.0
      51.0      16.2
      52.0       4.3
      53.0      55.0
      54.0      15.3
      55.0       1.4
      57.0       2.0
      61.0       4.1
      62.0      26.2
      63.0       3.9
      64.0       8.4
      71.0       1.2
      73.0       2.0
      75.0     100.0
      76.0       4.0
      77.0      37.4
      78.0       1.3
      83.0       1.2
      85.0       1.1
      87.0       4.4
      88.0      34.4
      89.0      53.5
      90.0      13.7
      91.0      17.2
     109.0       8.4
     111.0       5.6
     113.0       1.0
     123.0       3.0
     124.0      16.7
     125.0       2.6
     126.0      10.5
     128.0       1.7

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₄ H₆ Cl₂	0.05 ml : 0.5 ml CDCl₃
1,4-dichloro-2-butene

    Assign.     Shift(ppm)

      A             5.933
      B             4.069

     Hz     ppm     Int.

   2376.59   5.947    198
   2374.88   5.943    334
   2372.80   5.938    333
   2371.09   5.933    468
   2369.38   5.929    316
   2367.31   5.924    318
   2365.60   5.920    181
   1642.58   4.111     46
   1635.38   4.093     47
   1629.15   4.077   1000
   1627.44   4.073    635
   1625.24   4.067    617
   1623.54   4.063    958
   1617.92   4.049     47

in CDCl3