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66003-63-2

十二烷二酸一乙酯(66003-63-2)红外图谱(IR2)

分子式:C14H26O4

分子量: 258.35

InChI:InChI=1S/C14H26O4/c1-2-18-14(17)12-10-8-6-4-3-5-7-9-11-13(15)16/h2-12H2,1H3,(H,15,16)

InChIKey: VJOPNKODAZUCRH-UHFFFAOYSA-N

Smiles:C(OCC)(=O)CCCCCCCCCCC(O)=O

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    Mass

    MS-NW-7946          
    ethyl hydrogen dodecanedioate
    C14H26O4            (Mass of molecular ion:    258)
    

       Source Temperature: 190 °C
       Sample Temperature: 140 °C
       Direct, 75 eV
    

          18.0       1.7
          27.0      14.7
          28.0       5.6
          29.0      41.3
          30.0       1.1
          31.0       2.6
          39.0       7.8
          40.0       1.7
          41.0      45.5
          42.0       9.5
          43.0      20.8
          45.0      16.3
          53.0       3.4
          54.0       4.5
          55.0      51.1
          56.0       6.9
          57.0       8.9
          58.0       1.6
          59.0       4.5
          60.0      34.6
          61.0      25.8
          67.0      10.8
          68.0       6.0
          69.0      36.6
          70.0      26.5
          71.0       6.4
          73.0      24.4
          74.0       3.5
          79.0       3.3
          80.0       2.9
          81.0       9.7
          82.0       4.0
          83.0      21.4
          84.0      42.1
          85.0       5.1
          87.0       4.7
          88.0     100.0
          89.0      27.7
          90.0       1.6
          91.0       1.2
          93.0       4.0
          94.0       2.5
          95.0       5.4
          96.0       5.6
          97.0      17.3
          98.0      93.4
          99.0       7.5
         100.0       1.1
         101.0      23.1
         102.0       2.7
         107.0       2.8
         108.0       2.3
         109.0       4.0
         110.0       3.7
         111.0      12.0
         112.0      31.0
         113.0       3.1
         114.0       1.1
         115.0       6.0
         121.0       1.8
         122.0       1.4
         123.0       3.2
         124.0       3.0
         125.0       5.1
         126.0       5.0
         127.0       1.2
         128.0       1.2
         129.0       3.7
         133.0       1.2
         134.0       2.5
         135.0      10.8
         136.0       1.4
         137.0       1.7
         138.0       3.9
         139.0       1.4
         143.0       5.1
         144.0       1.5
         147.0       1.1
         148.0       2.2
         149.0       4.7
         150.0       1.6
         151.0       2.0
         152.0       4.5
         153.0       9.8
         154.0       1.2
         156.0       1.4
         157.0       6.7
         158.0       1.3
         165.0       1.2
         166.0       7.7
         167.0       4.2
         168.0       1.1
         171.0       1.5
         176.0       1.3
         184.0       1.5
         186.0       1.5
         194.0      12.0
         195.0       2.4
         196.0       1.1
         199.0      11.6
         200.0       1.6
         212.0       1.2
         213.0      31.0
         214.0       5.4
         240.0       1.1
         241.0       3.8
         259.0       1.1
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C14 H26 O4 0.026 g : 0.5 ml CDCl3
    ethyl hydrogen dodecanedioate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.127 B *1 2.347 C *1 2.287 D *2 1.63 E *2 1.61 F 1.38 to 1.26 G 1.258 COOH-PEAK WAS NOT OBSERVED.

         Hz     ppm     Int.
    

       1660.40   4.155    121
       1653.20   4.137    375
       1646.12   4.119    369
       1638.92   4.101    124
        945.68   2.367    120
        938.23   2.348    207
        930.54   2.329    134
        922.00   2.308    164
        914.55   2.289    249
        906.86   2.270    186
        658.20   1.647     70
        651.25   1.630    121
        644.65   1.614    120
        637.33   1.595     67
        538.21   1.347     53
        528.56   1.323    116
        527.95   1.322    117
        512.08   1.282    442
        508.91   1.274    766
        503.66   1.261     96
        501.71   1.256   1000
        496.83   1.244     38
        494.63   1.238    489
    

in CDCl3

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KBr disc

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nujol mull

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