111-85-3

1-氯辛烷(111-85-3)Raman光谱

产品名称:1-氯辛烷

CAS:111-85-3

分子式:C8H17Cl

分子量: 148.67

InChI:InChI=1S/C8H17Cl/c1-2-3-4-5-6-7-8-9/h2-8H2,1H3

InChIKey: CNDHHGUSRIZDSL-UHFFFAOYSA-N

Smiles:C(Cl)CCCCCCC

Mass

MS-NW-0874          
1-chlorooctane
C8H17Cl             (Mass of molecular ion:    148)

   Source Temperature: 280 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      26.0       1.0
      27.0      18.9
      28.0       4.0
      29.0      25.1
      39.0      13.9
      40.0       2.3
      41.0      57.8
      42.0      19.4
      43.0      77.8
      44.0       2.5
      49.0       2.1
      51.0       1.1
      53.0       3.5
      54.0       2.5
      55.0      58.2
      56.0      23.4
      57.0      37.3
      58.0       1.6
      63.0       4.1
      65.0       1.3
      67.0       2.4
      68.0       2.6
      69.0      37.5
      70.0      21.0
      71.0      13.2
      77.0       2.2
      82.0       1.0
      83.0      17.0
      84.0       6.5
      85.0       2.0
      91.0     100.0
      92.0       4.5
      93.0      34.0
      94.0       1.4
      97.0       1.0
     105.0      10.0
     107.0       3.1

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₁₇ Cl	0.04 ml : 0.5 ml CDCl₃
1-chlorooctane

    Assign.     Shift(ppm)

      A             3.52
      B             1.77
      C             1.50
      D          1.56 to 1.08
      E             0.89

     Hz     ppm     Int.

    322.31   3.599    290
    315.75   3.526    792
    309.06   3.451    472
    167.06   1.866     56
    166.75   1.862     57
    166.44   1.859     59
    165.19   1.845     73
    164.69   1.839     72
    163.63   1.828     63
    163.25   1.823     63
    163.13   1.822     63
    162.38   1.814     63
    161.56   1.804     67
    158.63   1.772    121
    158.06   1.765    123
    155.31   1.735     72
    152.19   1.700    103
    150.69   1.683     89
    149.81   1.673     70
    147.31   1.645     44
    147.00   1.642     43
    146.31   1.634     50
    145.69   1.627     53
    145.19   1.622     50
    144.69   1.616     51
    142.94   1.597     36
    142.63   1.593     33
    141.56   1.581     37
    140.69   1.571     39
    140.13   1.565     41
    139.50   1.558     39
    139.13   1.554     40
    138.69   1.549     38
    137.56   1.536     57
    136.13   1.520     68
    134.63   1.504     80
    134.00   1.497     83
    133.38   1.490     81
    133.25   1.488     81
    131.94   1.474     85
    130.94   1.463     99
    129.81   1.450    106
    129.13   1.442    106
    128.63   1.437    103
    127.19   1.421    123
    126.81   1.416    122
    116.75   1.304   1000
    103.00   1.151     43
    102.63   1.146     40
    102.13   1.141     39
    101.19   1.130     37
    100.75   1.125     35
    100.44   1.122     32
     88.94   0.994     35
     84.44   0.943    158
     83.50   0.933    148
     82.19   0.918    138
     81.38   0.909    133
     79.25   0.885    583
     74.75   0.835     82
     73.13   0.817    116
     72.06   0.805     95

in CDCl3