108-12-3

异戊酰氯(108-12-3)核磁图(¹³CNMR)

产品名称:异戊酰氯

CAS:108-12-3

分子式:C5H9ClO

分子量: 120.58

InChI:InChI=1S/C5H9ClO/c1-4(2)3-5(6)7/h4H,3H2,1-2H3

InChIKey: ISULZYQDGYXDFW-UHFFFAOYSA-N

Smiles:C(Cl)(=O)CC(C)C

¹HNMR

¹³CNMR

IR1

Mass

MS-NW-3537          
isovaleryl chloride
C5H9ClO             (Mass of molecular ion:    120)

   Source Temperature: 280 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      14.0       2.1
      15.0       6.1
      26.0       3.2
      27.0      27.8
      28.0       2.4
      29.0      32.0
      36.0       4.2
      37.0       2.1
      38.0       4.2
      39.0      29.6
      40.0       5.9
      41.0     100.0
      42.0      27.4
      43.0      55.0
      44.0       1.9
      49.0       1.6
      50.0       1.6
      51.0       1.5
      53.0       2.0
      55.0       6.9
      56.0      12.4
      57.0      67.0
      58.0       2.9
      60.0       2.0
      63.0       4.6
      65.0       1.4
      69.0      19.8
      70.0       1.1
      77.0       5.7
      78.0      17.6
      79.0       3.3
      80.0       5.8
      84.0       9.3
      85.0      55.4
      86.0       3.1
      92.0       6.2
      94.0       2.2
     105.0       6.4
     107.0       2.2

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₅ H₉ Cl O	0.04 ml : 0.5 ml CDCl₃
isovaleryl chloride

    Assign.     Shift(ppm)

      A             2.759
      B             2.219
      C             1.012
     
     J(B,C)=6.6HZ.

     Hz     ppm     Int.

    251.44   2.808    199
    250.88   2.802    315
    244.13   2.726    387
    212.31   2.371     24
    205.94   2.300     43
    199.13   2.224     51
    198.50   2.217     35
    192.63   2.151     45
    191.75   2.142     30
    186.19   2.079     21
    185.25   2.069     25
     93.56   1.045   1000
     89.69   1.002     31
     89.56   1.000     31
     87.00   0.972    814

in CDCl3