111-64-8

辛酰氯(111-64-8)核磁图(¹³CNMR)

产品名称:辛酰氯

CAS:111-64-8

分子式:C8H15ClO

分子量: 162.66

InChI:InChI=1S/C8H15ClO/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3

InChIKey: REEZZSHJLXOIHL-UHFFFAOYSA-N

Smiles:C(Cl)(=O)CCCCCCC

Mass

MS-NW-1042          
octanoyl chloride
C8H15ClO            (Mass of molecular ion:    162)

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

      15.0       2.5
      26.0       4.1
      27.0      51.8
      28.0       7.3
      29.0      52.0
      30.0       1.2
      35.0       1.5
      36.0       8.7
      38.0       2.7
      39.0      33.0
      40.0       6.4
      41.0      97.4
      42.0      45.7
      43.0      90.4
      44.0       3.3
      45.0       1.1
      50.0       1.6
      51.0       2.3
      52.0       1.1
      53.0       6.6
      54.0       5.9
      55.0     100.0
      56.0      40.5
      57.0      73.1
      58.0       4.5
      59.0       1.1
      60.0       8.8
      61.0       1.1
      63.0       3.7
      65.0       1.4
      67.0      17.4
      68.0       5.9
      69.0      34.3
      70.0      20.3
      71.0       4.5
      72.0       1.1
      73.0       5.9
      74.0       1.0
      77.0       2.4
      78.0      21.7
      79.0       4.7
      80.0       6.9
      81.0       2.5
      82.0      58.7
      83.0      27.5
      84.0      67.3
      85.0      26.5
      86.0       1.9
      87.0       1.4
      91.0      13.5
      92.0       1.1
      93.0       4.5
      95.0       1.2
      97.0      13.3
      98.0      57.5
      99.0       4.8
     101.0       1.8
     102.0       1.6
     105.0       3.4
     107.0       1.0
     108.0       2.6
     109.0       4.7
     111.0       3.4
     117.0       1.9
     119.0       2.3
     126.0       4.5
     127.0      54.9
     128.0       5.2
     133.0       1.7
     134.0       2.7
     136.0       1.0

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₁₅ Cl O	0.04 ml : 0.5 ml CDCl₃
octanoyl chloride

    Assign.     Shift(ppm)

      A             2.875
      B             1.71
      C          1.52 to 1.15
      D             0.89

     Hz     ppm     Int.

    265.50   2.965    259
    262.81   2.935     42
    258.25   2.884    678
    256.31   2.862     84
    255.81   2.857     60
    255.06   2.848     46
    251.25   2.806    421
    250.88   2.802    452
    153.06   1.710    159
    116.88   1.306   1000
    114.50   1.279    980
     84.50   0.944    214
     79.38   0.887    718
     73.38   0.820    138

in CDCl3