图谱信息 供应商 相关产品
网站主页CAS数据库列表 3970-62-5更多图谱2,4-二甲基-3-戊醇(3970-62-5)质谱(MS)

2,4-二甲基-3-戊醇

产品名称 2,4-二甲基-3-戊醇

CAS号3970-62-5

分子式C7H16O

分子量116.2

展开


  • Mass

    MS-IW-3507          
    2,2-dimethyl-3-pentanol
    C7H16O              (Mass of molecular ion:    116)
    

       Source Temperature: 210 °C
       Sample Temperature: 160 °C
       Reservoir, 75 eV
    

          15.0       1.0
          27.0      10.1
          28.0       3.0
          29.0      22.3
          30.0       1.0
          31.0      26.1
          39.0      10.5
          40.0       1.7
          41.0      57.8
          42.0       3.3
          43.0      15.0
          45.0      34.7
          53.0       2.2
          55.0       9.9
          56.0      31.4
          57.0      87.3
          58.0      49.3
          59.0     100.0
          60.0       5.2
          67.0       1.1
          69.0      24.2
          70.0       2.4
          71.0       2.6
          83.0       4.0
          87.0      51.5
          88.0       2.9
         101.0       6.5
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C7 H16 O 0.05 ml : 0.5 ml CDCl3
    2,2-dimethyl-3-pentanol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.082 B 1.91 C 1.59 D 1.23 E 1.004 F 0.892 J(C,D)=-13.9HZ J(C,E)=7.6HZ J(C,A)=2.0HZ J(A,D)=10.5HZ

         Hz     ppm     Int.
    

       1238.28   3.099     81
       1236.33   3.094     84
       1227.78   3.073     84
       1225.83   3.068     85
        646.24   1.618     33
        644.29   1.613     34
        638.67   1.599     40
        636.72   1.594     40
        632.32   1.583     42
        630.37   1.578     45
        624.76   1.564     42
        622.80   1.559     42
        509.52   1.275     35
        502.32   1.257     43
        498.90   1.249     35
        495.48   1.240     41
        491.70   1.231     42
        488.40   1.223     34
        484.99   1.214     39
        477.78   1.196     31
        408.20   1.022    235
        400.88   1.004    379
        393.43   0.985    183
        356.69   0.893   1000
    

in CDCl3



liquid film