626-93-7

2-己醇(626-93-7)核磁圖(¹³CNMR)

產(chǎn)品名稱:2-己醇

CAS:626-93-7

分子式:C6H14O

分子量: 102.17

InChI:InChI=1S/C6H14O/c1-3-4-5-6(2)7/h6-7H,3-5H2,1-2H3

InChIKey: QNVRIHYSUZMSGM-UHFFFAOYSA-N

Smiles:CC(O)CCCC

Mass

MS-NW-1207          
2-hexanol
C6H14O              (Mass of molecular ion:    102)

   Source Temperature: 240 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       1.1
      19.0       1.1
      27.0       6.4
      28.0       1.5
      29.0       5.1
      31.0       2.0
      39.0       3.2
      41.0      12.0
      42.0       3.4
      43.0       7.0
      44.0       6.9
      45.0     100.0
      46.0       2.3
      55.0       3.9
      56.0       3.6
      57.0       2.4
      58.0       1.3
      69.0      14.5
      84.0       4.1
      87.0       5.3

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₆ H₁₄ O	0.04 ml : 0.5 ml CDCl₃
2-hexanol

    Assign.     Shift(ppm)

      A             3.79
      B             1.71
      C          1.51 to 1.17
      D             1.184
      E             0.91

     Hz     ppm     Int.

    342.63   3.826     31
    336.56   3.758     36
    153.44   1.714     84
    132.69   1.482     51
    131.63   1.470     56
    130.94   1.463     51
    128.81   1.439    105
    127.69   1.426    121
    123.25   1.377    259
    121.44   1.356    165
    121.06   1.352    167
    120.88   1.350    167
    119.44   1.334    138
    117.81   1.316    137
    113.19   1.264     64
    112.19   1.253     54
    111.44   1.245     51
    109.00   1.218   1000
    106.94   1.195     61
    105.75   1.181     35
    105.06   1.174     35
    102.88   1.149    925
    101.31   1.132     48
     86.88   0.971     78
     84.88   0.948    107
     83.81   0.936     75
     81.38   0.909    295
     78.56   0.878     84
     76.56   0.855     49
     76.44   0.854     49
     75.81   0.847     50
     75.69   0.846     50
     75.38   0.842     51
     73.88   0.825     41

in CDCl3