ChemicalBook
English   Japanese   Germany   Korea

111-65-9

正辛烷(111-65-9)核磁图(13CNMR)

产品名称:正辛烷

CAS:111-65-9

分子式:C8H18

分子量: 114.23

InChI:InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3

InChIKey: TVMXDCGIABBOFY-UHFFFAOYSA-N

Smiles:CCCCCCCC

  • 图谱
    Mass

    MS-NW-0660          
    octane
    C8H18               (Mass of molecular ion:    114)
    

       Source Temperature: 210 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          26.0       1.2
          27.0      20.1
          28.0       4.4
          29.0      27.4
          39.0      12.3
          40.0       2.1
          41.0      43.8
          42.0      15.3
          43.0     100.0
          44.0       3.2
          53.0       1.9
          55.0      11.4
          56.0      18.4
          57.0      33.5
          58.0       1.5
          69.0       1.6
          70.0      12.1
          71.0      20.4
          72.0       1.0
          84.0       7.1
          85.0      26.5
          86.0       1.8
         114.0       6.0
    

90 MHz in CDCl3

  • 图谱

    1H NMR 89.56 MHz
    C8 H18 0.04 ml : 0.5 ml CDCl3
    octane
    ChemicalStructure
        Assign.     Shift(ppm)
    A 1.26 B 0.88

         Hz     ppm     Int.
    

        113.19   1.264   1000
         84.38   0.943    111
         82.00   0.916     88
         79.06   0.883    366
         72.94   0.815     77
    

in CDCl3

  • 图谱

CCl4 solution

  • 图谱

liquid film

  • 图谱

4880 A,100M,liquid

  • 图谱

×