928-94-9

順-2-已烯-1-醇(928-94-9)質譜(MS)

產品名稱:順-2-已烯-1-醇

CAS:928-94-9

分子式:C6H12O

分子量: 100.16

InChI:InChI=1S/C6H12O/c1-2-3-4-5-6-7/h4-5,7H,2-3,6H2,1H3/b5-4-

InChIKey: ZCHHRLHTBGRGOT-PLNGDYQASA-N

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

Mass

MS-NW-9936          
cis-2-hexen-1-ol
C6H12O              (Mass of molecular ion:    100)

   Source Temperature: 200 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      26.0       1.2
      27.0      16.6
      28.0       3.5
      29.0      18.0
      30.0       1.1
      31.0       8.5
      38.0       1.3
      39.0      15.4
      40.0       3.0
      41.0      44.3
      42.0       8.5
      43.0      14.5
      44.0      19.0
      45.0       4.6
      50.0       1.2
      51.0       2.1
      53.0       5.7
      54.0       6.9
      55.0      12.5
      56.0      13.1
      57.0     100.0
      58.0       7.3
      59.0       4.1
      65.0       1.3
      67.0      30.3
      68.0       2.3
      69.0       5.3
      70.0       1.6
      71.0      11.2
      72.0       5.2
      73.0       1.1
      79.0       1.0
      81.0       2.8
      82.0      32.7
      83.0       4.2
     100.0       1.4

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₆ H₁₂ O	0.05 ml : 0.5 ml CDCl₃
cis-2-hexen-1-ol

    Assign.     Shift(ppm)

      A             5.586
      B             5.513
      C             4.167
      D             2.88
      E             2.044
      F             1.388
      G             0.904

     Hz     ppm     Int.

   2247.92   5.625     30
   2246.46   5.622     51
   2245.00   5.618     30
   2241.21   5.608     56
   2239.87   5.605     95
   2238.65   5.602     52
   2236.94   5.598     49
   2235.47   5.594     90
   2234.01   5.590     65
   2233.52   5.589     62
   2232.67   5.587     32
   2230.35   5.581     91
   2228.88   5.578    174
   2227.66   5.575    110
   2223.75   5.565     54
   2222.53   5.562    102
   2221.56   5.559     69
   2214.84   5.542     60
   2214.11   5.541     93
   2212.89   5.538     52
   2208.01   5.525     92
   2206.91   5.523    156
   2205.57   5.519     86
   2203.13   5.513     44
   2201.90   5.510     33
   2200.93   5.508     48
   2199.58   5.504     78
   2198.24   5.501     46
   2197.14   5.498     46
   2195.92   5.495     85
   2194.70   5.492     50
   2188.60   5.477     46
   1669.56   4.178    353
   1669.07   4.177    360
   1668.33   4.175    366
   1667.72   4.173    238
   1663.82   4.164    195
   1663.09   4.162    353
   1662.60   4.161    312
   1661.87   4.159    359
   1661.13   4.157    229
   1150.02   2.878    228
    828.74   2.074     56
    828.00   2.072     87
    826.78   2.069     93
    820.80   2.054    202
    819.58   2.051    232
    812.13   2.033    239
    806.03   2.017     86
    805.30   2.016     90
    804.81   2.014    102
    573.24   1.435     59
    565.80   1.416    204
    558.35   1.398    330
    551.03   1.379    327
    543.70   1.361    201
    536.50   1.343     57
    373.66   0.935     32
    368.53   0.923    594
    365.36   0.915     45
    361.08   0.904   1000
    356.32   0.892     38
    353.76   0.886    530

in CDCl3