5-己炔-1-醇(928-90-5)核磁圖(¹HNMR)

產(chǎn)品名稱:5-己炔-1-醇

CAS:928-90-5

分子式:C6H10O

分子量: 98.14

InChI:InChI=1S/C6H10O/c1-2-3-4-5-6-7/h1,7H,3-6H2

InChIKey: GOQJMMHTSOQIEI-UHFFFAOYSA-N

Smiles:C(O)CCCC#C

Mass

MS-NW-9673          
5-hexyn-1-ol
C6H10O              (Mass of molecular ion:     98)

   Source Temperature: 260 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       1.3
      18.0       2.2
      26.0       2.4
      27.0      20.3
      28.0       8.1
      29.0      17.7
      30.0       1.3
      31.0      68.6
      32.0       1.2
      37.0       2.3
      38.0       5.9
      39.0      52.7
      40.0      46.3
      41.0      63.7
      42.0      17.8
      43.0      23.2
      44.0       9.0
      45.0       2.7
      50.0       6.6
      51.0      10.7
      52.0      37.3
      53.0      23.1
      54.0      47.5
      55.0      32.0
      56.0       7.1
      57.0      52.5
      58.0       3.3
      59.0       3.1
      62.0       1.5
      63.0       2.9
      65.0      19.9
      66.0       4.7
      67.0      27.3
      68.0       6.4
      69.0      12.7
      70.0      78.9
      71.0       4.6
      77.0      20.3
      78.0       3.7
      79.0     100.0
      80.0       9.8
      81.0       4.2
      83.0      18.6
      84.0       1.1
      85.0       2.2
      97.0      19.3
      98.0       7.9

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₆ H₁₀ O	0.05 ml : 0.5 ml CDCl₃
5-hexyn-1-ol

    Assign.     Shift(ppm)

      A             3.63
      B             2.79
      C             2.22
      D             1.984
      E           1.8 to 1.47
     
     J(C,D)=2.5HZ

     Hz     ppm     Int.

    326.25   3.643    367
    250.19   2.794    213
    249.44   2.786    215
    210.75   2.354     41
    210.06   2.346     45
    207.88   2.322    145
    206.44   2.306    156
    205.06   2.290    215
    203.94   2.278    205
    201.38   2.249    457
    198.63   2.218    549
    196.63   2.196    290
    195.38   2.182    280
    194.44   2.172    231
    192.38   2.149    252
    189.38   2.115     92
    187.38   2.093     55
    186.44   2.082     47
    185.63   2.073     44
    184.69   2.063     45
    184.31   2.058     46
    183.81   2.053     46
    183.31   2.047     48
    181.44   2.026     83
    180.19   2.012    689
    177.69   1.985    907
    174.94   1.954    469
    172.06   1.922     57
    171.44   1.915     53
    170.38   1.903     46
    170.06   1.899     45
    169.13   1.889     44
    167.31   1.869     51
    166.56   1.860     52
    165.81   1.852     42
    165.56   1.849     42
    164.94   1.842     43
    163.25   1.823     73
    161.25   1.801     62
    160.75   1.795     62
    158.44   1.770    108
    156.56   1.749    142
    152.19   1.700    380
    150.00   1.675   1000
    148.25   1.656    575
    146.63   1.638    815
    143.69   1.605    841
    141.44   1.580    390
    138.38   1.546    198
    138.19   1.543    198
    136.50   1.525    150
    134.06   1.497    105
    132.44   1.479     66
    131.94   1.474     63
    131.63   1.470     63
    130.88   1.462     58
    129.88   1.451     60

in CDCl3