4209-90-9

2,2-二甲基-3-己醇(4209-90-9)质谱(MS)

产品名称:2,2-二甲基-3-己醇

CAS:4209-90-9

分子式:C8H18O

分子量: 130.23

InChI:InChI=1S/C8H18O/c1-5-6-7(9)8(2,3)4/h7,9H,5-6H2,1-4H3

InChIKey: PFHLGQKVKALLMD-UHFFFAOYSA-N

Smiles:CC(C)(C)C(O)CCC

¹HNMR

¹³CNMR

IR1

Mass

MS-NW-7064          
2,2-dimethyl-3-hexanol
C8H18O              (Mass of molecular ion:    130)

   Source Temperature: 270 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      15.0       1.4
      18.0       1.8
      27.0      12.8
      28.0       3.8
      29.0      20.1
      31.0       9.6
      39.0       8.9
      40.0       1.5
      41.0      37.6
      42.0       3.3
      43.0      41.3
      44.0       3.0
      45.0      15.7
      53.0       2.3
      55.0     100.0
      56.0      21.7
      57.0      54.4
      58.0       2.9
      59.0       6.2
      67.0       1.5
      69.0      14.6
      70.0       3.3
      71.0      16.2
      72.0      24.3
      73.0      58.4
      74.0       2.9
      83.0       3.3
      85.0       1.4
      87.0      29.6
      88.0       1.9
      97.0       3.9
     114.0       1.0
     115.0       2.4
     126.0       1.1
     128.0       1.3

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₈ H₁₈ O	0.05 ml : 0.5 ml CDCl₃
2,2-dimethyl-3-hexanol

    Assign.     Shift(ppm)

      A             3.198
      B             2.6
      C     *1      1.59
      D     *2      1.47
      E     *1      1.31
      F     *2      1.26
      G             0.936
      J             0.892
     
     ASSIGNED BY C-H COSY.

     Hz     ppm     Int.

   1284.55   3.215     50
   1282.71   3.210     44
   1274.29   3.189     58
   1272.58   3.185     46
    636.23   1.592     37
    514.04   1.287     32
    381.59   0.955    147
    374.39   0.937    270
    371.70   0.931     44
    367.19   0.919    151
    356.45   0.892   1000

in CDCl3