502-49-8

環(huán)辛酮(502-49-8)Raman光譜

產(chǎn)品名稱:環(huán)辛酮

CAS:502-49-8

分子式:C8H14O

分子量: 126.2

InChI:InChI=1S/C8H14O/c9-8-6-4-2-1-3-5-7-8/h1-7H2

InChIKey: IIRFCWANHMSDCG-UHFFFAOYSA-N

Smiles:C1(=O)CCCCCCC1

Mass

MS-NW-1282          
cyclooctanone
C8H14O              (Mass of molecular ion:    126)

   Source Temperature: 260 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       2.4
      18.0       1.0
      26.0       3.2
      27.0      32.0
      28.0      15.0
      29.0      24.3
      38.0       1.8
      39.0      30.5
      40.0       6.9
      41.0      75.5
      42.0      74.9
      43.0      14.8
      44.0       1.2
      50.0       1.3
      51.0       2.3
      52.0       1.1
      53.0       6.9
      54.0       9.8
      55.0      81.3
      56.0      38.9
      57.0       7.5
      58.0       6.4
      59.0       1.0
      65.0       1.0
      67.0      22.1
      68.0      16.2
      69.0      27.2
      70.0      26.5
      71.0       6.9
      72.0       1.6
      79.0       3.9
      80.0       3.5
      81.0       2.2
      82.0      43.8
      83.0      42.1
      84.0      49.3
      85.0       3.7
      93.0       6.1
      95.0       1.4
      97.0      22.6
      98.0     100.0
      99.0       6.8
     108.0       1.3
     111.0       8.2
     126.0      18.5
     127.0       1.9

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₁₄ O	0.05 g : 0.5 ml CDCl₃
cyclooctanone

    Assign.     Shift(ppm)

      A             2.41
      B             1.88
      C          1.72 to 1.24

     Hz     ppm     Int.

    222.94   2.490    297
    222.19   2.481    327
    218.94   2.445    239
    217.38   2.428    378
    214.81   2.399    187
    213.19   2.381    221
    210.56   2.352   1000
    179.50   2.005     81
    179.06   2.000     79
    177.06   1.977    121
    175.63   1.962    163
    174.31   1.947    156
    173.75   1.941    152
    172.38   1.925    195
    171.56   1.916    200
    171.19   1.912    200
    170.81   1.908    201
    169.50   1.893    252
    169.06   1.888    252
    167.94   1.876    221
    166.81   1.863    214
    166.25   1.857    216
    164.50   1.837    186
    163.63   1.828    196
    163.19   1.823    193
    162.63   1.816    191
    162.25   1.812    194
    160.88   1.797    153
    160.50   1.793    153
    159.44   1.781    131
    158.31   1.768    105
    157.63   1.761    122
    156.88   1.752    136
    150.38   1.680    119
    148.63   1.660     89
    147.44   1.647    104
    146.63   1.638    112
    144.63   1.615    171
    143.56   1.603    159
    142.50   1.592    194
    138.38   1.546    259
    137.31   1.534    228
    136.81   1.528    239
    136.19   1.521    231
    135.75   1.516    224
    133.38   1.490    304
    132.13   1.476    285
    130.38   1.456    369
    129.31   1.444    387
    125.94   1.407    157
    124.00   1.385    137
    123.69   1.382    139
    120.88   1.350     82
    120.13   1.342     80
    119.56   1.335     81
    119.06   1.330     75
    118.69   1.326     77
    118.25   1.321     75
    117.94   1.317     74
    117.38   1.311     70

in CDCl3