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2064-80-4

壬二酸二正辛酯(2064-80-4)核磁图(1HNMR)

产品名称:壬二酸二正辛酯

CAS:2064-80-4

分子式:C25H48O4

分子量: 412.65

InChI:InChI=1S/C25H48O4/c1-3-5-7-9-14-18-22-28-24(26)20-16-12-11-13-17-21-25(27)29-23-19-15-10-8-6-4-2/h3-23H2,1-2H3

InChIKey: XWVQUJDBOICHGH-UHFFFAOYSA-N

Smiles:C(OCCCCCCCC)(=O)CCCCCCCC(OCCCCCCCC)=O

  • 图谱
    Mass

    MS2015-05123CW      
    dioctyl azelate
    C25H48O4            (Mass of molecular ion:    412)
    

       Source Temperature: 250 °C
       Sample Temperature:  20 °C
       Direct, 70 eV
    

          18.0       1.8
          27.0       1.8
          28.0       4.4
          29.0       4.1
          39.0       1.7
          41.0      11.9
          42.0       5.4
          43.0      15.6
          44.0       2.2
          54.0       1.7
          55.0      16.7
          56.0       9.3
          57.0      17.5
          60.0       1.1
          61.0       1.5
          67.0       3.2
          68.0       3.2
          69.0      12.9
          70.0       9.2
          71.0      13.2
          73.0       2.5
          79.0       1.0
          81.0       3.2
          82.0       3.8
          83.0      13.5
          84.0       7.5
          85.0       1.2
          87.0       1.9
          95.0       1.5
          96.0       1.3
          97.0       7.5
          98.0       5.9
         101.0       2.3
         107.0       1.7
         110.0       1.9
         111.0       8.6
         112.0       5.5
         113.0       1.0
         115.0       2.1
         116.0       1.2
         123.0       2.1
         124.0       4.4
         125.0      14.9
         126.0       2.0
         129.0      17.7
         130.0       1.6
         135.0       1.3
         138.0       1.0
         139.0       1.5
         143.0       3.9
         144.0       2.5
         145.0       1.5
         151.0       1.6
         152.0      23.2
         153.0       6.9
         154.0       1.3
         155.0       1.3
         157.0       6.2
         170.0       1.3
         171.0     100.0
         172.0      10.7
         173.0       1.4
         185.0       3.9
         199.0       5.0
         227.0       1.0
         240.0       1.1
         241.0      14.5
         242.0       2.6
         254.0       2.4
         255.0       1.3
         256.0       3.0
         269.0       4.3
         282.0       2.3
         283.0      76.4
         284.0      14.4
         285.0       1.9
         297.0       2.5
         301.0       6.3
         302.0       1.2
         311.0       3.4
         412.0       1.4
    

90 MHz in CDCl3

in CDCl3

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    1H NMR 89.56 MHz
    C25 H48 O4 0.04 ml : 0.5 ml CDCl3
    dioctyl azelate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.048 B 2.28 C 1.66 to 1.47 D 1.33 to 1.24 E 0.88

         Hz     ppm     Int.
    

        369.56   4.127    150
        366.44   4.092     31
        363.13   4.055    411
        356.63   3.983    217
        212.63   2.375     78
        211.81   2.366     81
        204.88   2.288    214
        197.38   2.204    163
        158.69   1.772     37
        158.38   1.769     39
        157.38   1.758     39
        151.00   1.687    108
        149.63   1.671    100
        148.75   1.661    101
        144.50   1.614    159
        141.25   1.578    123
        140.63   1.571    121
        140.13   1.565    120
        139.44   1.557    126
        138.94   1.552    128
        138.63   1.548    130
        137.94   1.541    129
        133.50   1.491     94
        133.19   1.488     93
        131.06   1.464    107
        130.31   1.456    110
        130.00   1.452    111
        126.38   1.412    159
        115.81   1.294    983
        114.75   1.282   1000
        105.13   1.174     69
        103.31   1.154     58
        102.56   1.146     56
        102.06   1.140     54
        101.50   1.134     54
        100.81   1.126     52
        100.44   1.122     49
         99.88   1.116     46
         97.75   1.092     31
         97.56   1.090     31
         84.19   0.941    125
         83.00   0.927    113
         82.31   0.920    106
         81.69   0.913    105
         81.06   0.906    105
         79.00   0.883    422
         74.94   0.837     65
         72.94   0.815     87
         71.69   0.801     69
         69.44   0.776     33
         69.06   0.772     30
    

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in CDCl3

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liquid film

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