622-45-7

乙酸环己酯(622-45-7)Raman光谱

产品名称:乙酸环己酯

CAS:622-45-7

分子式:C8H14O2

分子量: 142.2

InChI:InChI=1S/C8H14O2/c1-7(9)10-8-5-3-2-4-6-8/h8H,2-6H2,1H3

InChIKey: YYLLIJHXUHJATK-UHFFFAOYSA-N

Smiles:C(OC1CCCCC1)(=O)C

Mass

MS-NW-0020          
cyclohexyl acetate
C8H14O2             (Mass of molecular ion:    142)

   Source Temperature: 200 °C
   Sample Temperature:  65 °C
   Reservoir, 75 eV

      15.0       3.7
      18.0       1.5
      27.0       5.6
      28.0       2.3
      29.0       4.5
      39.0       6.3
      40.0       1.0
      41.0      13.4
      42.0       2.1
      43.0     100.0
      44.0       4.1
      53.0       2.2
      54.0      19.2
      55.0      15.6
      56.0       2.2
      57.0       9.0
      58.0       7.5
      59.0       1.3
      61.0       8.6
      67.0      58.5
      68.0       3.5
      71.0       3.7
      72.0       1.2
      79.0       1.4
      81.0       8.0
      82.0      80.2
      83.0       9.7
      99.0       4.5
     100.0       4.9

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₈ H₁₄ O₂	0.05 ml : 0.5 ml CDCl₃
cyclohexyl acetate

    Assign.     Shift(ppm)

      A             4.735
      B             2.027
      C             1.85
      D             1.72
      E             1.55
      F             1.41
      G             1.35
      J             1.25

     Hz     ppm     Int.

   1902.22   4.760     31
   1897.83   4.749     39
   1893.07   4.737     59
   1888.92   4.727     47
    813.48   2.036     60
    810.30   2.028   1000
    745.00   1.865     69
    738.77   1.849     73
    734.38   1.838     88
    696.90   1.744     67
    694.21   1.738     78
    688.48   1.723     71
    685.06   1.715     57
    683.96   1.712     57
    625.85   1.566     34
    616.33   1.543     34
    615.23   1.540     34
    614.38   1.538     33
    613.40   1.535     38
    578.00   1.447     30
    566.89   1.419     67
    564.82   1.414     62
    555.91   1.391    151
    553.10   1.384     76
    550.66   1.378     61
    547.36   1.370    141
    545.65   1.366    146
    538.70   1.348     55
    536.01   1.342     76
    533.20   1.335     42
    525.27   1.315     39
    504.27   1.262     31
    503.30   1.260     32
    502.08   1.257     30

in CDCl3