2163-00-0

1,6-二氯己烷(2163-00-0)红外图谱(IR1)

产品名称:1,6-二氯己烷

CAS:2163-00-0

分子式:C6H12Cl2

分子量: 155.07

InChI:InChI=1S/C6H12Cl2/c7-5-3-1-2-4-6-8/h1-6H2

InChIKey: OVISMSJCKCDOPU-UHFFFAOYSA-N

Smiles:C(Cl)CCCCCCl

Mass

MS-NW-1037          
1,6-dichlorohexane
C6H12Cl2            (Mass of molecular ion:    154)

   Source Temperature: 250 °C
   Sample Temperature: 130 °C
   Reservoir, 75 eV

      15.0       1.0
      18.0       4.4
      26.0       2.8
      27.0      28.0
      28.0       3.9
      29.0      20.4
      36.0       1.2
      38.0       1.6
      39.0      20.8
      40.0       3.6
      41.0      82.0
      42.0      29.0
      43.0      15.3
      49.0       8.0
      50.0       1.2
      51.0       2.6
      53.0       7.7
      54.0      13.2
      55.0     100.0
      56.0      49.1
      57.0       2.7
      61.0       1.1
      62.0       3.1
      63.0       9.6
      64.0       1.2
      65.0       3.0
      67.0      38.2
      68.0       3.5
      69.0      69.0
      70.0       3.9
      75.0       3.2
      76.0       6.1
      77.0       3.8
      78.0       2.0
      79.0       1.5
      80.0       2.0
      81.0       6.2
      82.0      65.7
      83.0      17.3
      84.0       1.1
      89.0       1.3
      90.0      14.4
      91.0      12.9
      92.0       4.9
      93.0       4.0
     118.0       6.1
     120.0       2.0

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₆ H₁₂ Cl₂	0.04 ml : 0.5 ml CDCl₃
1,6-dichlorohexane

    Assign.     Shift(ppm)

      A             3.536
      B             1.80
      C             1.49

     Hz     ppm     Int.

    323.88   3.617    374
    317.44   3.545   1000
    310.94   3.472    602
    161.25   1.801    192
    160.38   1.791    195
    154.75   1.728    179
    139.56   1.559    163
    137.94   1.541    227
    135.00   1.508    206
    133.81   1.495    200
    132.44   1.479    206
    131.44   1.468    225
    130.75   1.460    198
    129.56   1.447    162
    128.31   1.433    132
    127.06   1.419    154

in CDCl3