6222-35-1

丙酸环己酯(6222-35-1)质谱(MS)

产品名称:丙酸环己酯

CAS:6222-35-1

分子式:C9H16O2

分子量: 156.22

InChI:InChI=1S/C9H16O2/c1-2-9(10)11-8-6-4-3-5-7-8/h8H,2-7H2,1H3

InChIKey: MAMMVUWCKMOLSG-UHFFFAOYSA-N

Smiles:C(OC1CCCCC1)(=O)CC

Mass

MS-NW-3644          
cyclohexyl propionate
C9H16O2             (Mass of molecular ion:    156)

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

      26.0       1.5
      27.0      13.3
      28.0       3.5
      29.0      40.5
      30.0       1.1
      39.0       8.2
      40.0       1.3
      41.0      19.0
      42.0       2.8
      43.0       2.8
      44.0       1.8
      53.0       2.6
      54.0      15.3
      55.0      25.6
      56.0       3.2
      57.0     100.0
      58.0       4.0
      67.0      44.2
      68.0       2.6
      72.0       5.0
      73.0       1.2
      74.0       2.5
      75.0      22.6
      79.0       1.1
      81.0      10.3
      82.0      60.4
      83.0      26.2
      84.0       1.9
      99.0       3.8
     100.0       1.1
     113.0       2.2
     127.0       1.9

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₉ H₁₆ O₂	0.04 ml : 0.5 ml CDCl₃
cyclohexyl propionate

    Assign.     Shift(ppm)

      A             4.76
      B             2.29
      C          2.08 to 0.96
      D             1.14

     Hz     ppm     Int.

    426.81   4.766     45
    217.69   2.431     94
    216.88   2.422     99
    209.50   2.340    382
    202.69   2.264    234
    201.88   2.255    474
    195.00   2.178    147
    194.25   2.169    149
    158.00   1.765    145
    131.13   1.465    154
    125.06   1.397    238
    115.63   1.292    173
    108.63   1.213    506
    104.56   1.168     38
    104.06   1.162     42
    101.38   1.132   1000
    100.88   1.127    679
     97.56   1.090     31
     97.13   1.085     27
     93.56   1.045    342

in CDCl3