928-96-1

葉醇(928-96-1)質(zhì)譜(MS)

產(chǎn)品名稱:葉醇

CAS:928-96-1

分子式:C6H12O

分子量: 100.16

InChI:InChI=1S/C6H12O/c1-2-3-4-5-6-7/h3-4,7H,2,5-6H2,1H3/b4-3-

InChIKey: UFLHIIWVXFIJGU-ARJAWSKDSA-N

Smiles:C(O)C/C=C\CC

Mass

MS-NW-1250          
cis-3-hexen-1-ol
C6H12O              (Mass of molecular ion:    100)

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

      15.0       1.5
      18.0       1.2
      26.0       1.7
      27.0      18.4
      28.0       2.6
      29.0      14.8
      31.0      22.6
      38.0       1.9
      39.0      22.0
      40.0       4.2
      41.0     100.0
      42.0      25.9
      43.0       6.4
      44.0       8.2
      45.0       2.6
      50.0       1.5
      51.0       2.4
      52.0       1.1
      53.0       9.3
      54.0      11.2
      55.0      39.4
      56.0       9.0
      57.0      16.7
      58.0       1.9
      65.0       1.7
      66.0       1.0
      67.0      73.0
      68.0       7.2
      69.0      26.1
      70.0      10.8
      71.0       2.5
      72.0       3.6
      81.0       5.9
      82.0      46.5
      83.0       3.3
     100.0       2.6

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₆ H₁₂ O	0.04 ml : 0.5 ml CDCl₃
cis-3-hexen-1-ol

    Assign.     Shift(ppm)

      A     *1      5.54
      B     *1      5.36
      C             3.626
      D             2.32
      E             2.07
      F             1.96
      G             0.98

     Hz     ppm     Int.

    510.88   5.705     32
    505.06   5.640     37
    504.00   5.628     60
    501.38   5.599     39
    500.00   5.583     71
    498.88   5.571     48
    497.81   5.559     36
    494.25   5.519     76
    493.13   5.507    165
    488.38   5.454    117
    487.63   5.445    222
    486.94   5.438    128
    486.81   5.436    128
    481.94   5.382    155
    480.81   5.369     78
    476.13   5.317     44
    474.94   5.304     70
    473.63   5.289     36
    471.13   5.261     56
    470.00   5.248     34
    464.13   5.183     35
    331.63   3.703    297
    325.06   3.630    634
    318.56   3.557    364
    218.69   2.442     57
    217.75   2.432     98
    215.75   2.410     31
    211.56   2.363    229
    211.00   2.356    271
    205.06   2.290    230
    204.50   2.284    241
    202.31   2.259     47
    201.75   2.253     42
    201.00   2.245     55
    198.06   2.212     87
    194.19   2.169    124
    193.56   2.162    139
    186.31   2.081    258
    181.25   2.024     61
    179.69   2.007    160
    179.13   2.001    179
    177.88   1.987    108
    175.31   1.958    446
    172.94   1.931     77
    172.19   1.923     84
    171.06   1.911     46
     94.44   1.055    491
     87.19   0.974   1000
     79.50   0.888    376
     78.88   0.881    222

in CDCl3