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1117-86-8

1,2-辛二醇(1117-86-8)核磁图(1HNMR)

产品名称:1,2-辛二醇

CAS:1117-86-8

分子式:C8H18O2

分子量: 146.23

InChI:InChI=1S/C8H18O2/c1-2-3-4-5-6-8(10)7-9/h8-10H,2-7H2,1H3

InChIKey: AEIJTFQOBWATKX-UHFFFAOYSA-N

Smiles:C(O)C(O)CCCCCC

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    Mass

    MS-IW-6303          
    1,2-octanediol
    C8H18O2             (Mass of molecular ion:    146)
    

       Source Temperature: 200 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          15.0       1.6
          18.0       4.2
          27.0       7.7
          28.0       2.7
          29.0      13.0
          31.0       7.0
          39.0       5.3
          41.0      23.3
          42.0       5.7
          43.0      40.9
          44.0       7.3
          45.0       3.7
          53.0       1.7
          54.0       1.9
          55.0     100.0
          56.0      10.2
          57.0      12.0
          58.0       3.0
          59.0       2.6
          60.0       2.5
          61.0      14.8
          67.0       4.2
          68.0       3.8
          69.0      25.3
          70.0       4.1
          71.0       3.7
          72.0       1.2
          73.0       1.3
          81.0       4.5
          82.0       2.2
          83.0       1.1
          84.0       2.7
          85.0       2.4
          87.0       1.2
          89.0       2.3
          95.0       1.6
          96.0       1.9
          97.0      89.5
          98.0       7.0
         110.0       1.2
         111.0       1.3
         113.0       1.9
         114.0       2.8
         115.0      37.6
         116.0       3.1
         117.0       8.6
         129.0       1.0
         145.0       1.0
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C8 H18 O2 0.042 g : 0.5 ml CDCl3
    1,2-octanediol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.67 B *1 3.643 C *1 3.406 D 1.412 E 1.28 F 0.883

         Hz     ppm     Int.
    

       1466.55   3.670    142
       1451.17   3.632    172
       1448.49   3.625    140
       1439.82   3.603    181
       1437.13   3.596    153
       1369.87   3.428    176
       1361.94   3.408    161
       1358.52   3.400    146
       1350.71   3.380    120
        564.45   1.413    278
        512.57   1.283    620
        359.62   0.900    292
        352.91   0.884   1000
        345.83   0.866    330
    

in CDCl3

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liquid film

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4880 A,200 M,liquid

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