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110-42-9

癸酸甲酯(110-42-9)红外图谱(IR1)

产品名称:癸酸甲酯

CAS:110-42-9

分子式:C11H22O2

分子量: 186.29

InChI:InChI=1S/C11H22O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h3-10H2,1-2H3

InChIKey: YRHYCMZPEVDGFQ-UHFFFAOYSA-N

Smiles:C(OC)(=O)CCCCCCCCC

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    Mass

    MS-NW-0722          
    methyl decanoate
    C11H22O2            (Mass of molecular ion:    186)
    

       Source Temperature: 220 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          15.0       5.1
          27.0      11.7
          28.0       3.0
          29.0      17.5
          39.0       8.5
          40.0       1.6
          41.0      31.4
          42.0      15.4
          43.0      36.8
          44.0       1.2
          45.0       1.2
          53.0       1.9
          54.0       1.5
          55.0      17.1
          56.0      16.7
          57.0      20.2
          59.0       6.0
          67.0       1.6
          68.0       1.3
          69.0       9.7
          70.0       4.9
          71.0       8.8
          73.0       1.7
          74.0     100.0
          75.0      10.3
          78.0       2.8
          81.0       1.2
          83.0       4.1
          84.0       4.0
          85.0       3.3
          86.0       1.7
          87.0      46.5
          88.0       4.7
          97.0       2.1
          98.0       2.7
         101.0       5.8
         112.0       1.1
         115.0       1.5
         129.0       3.9
         143.0      12.9
         144.0       1.3
         155.0       8.2
         156.0       1.0
         157.0       2.2
         186.0       4.7
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C11 H22 O2 0.04 ml : 0.5 ml CDCl3
    methyl decanoate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.662 B 2.29 C 1.61 D 1.27 E 0.88

         Hz     ppm     Int.
    

        327.94   3.662   1000
        214.00   2.390     37
        212.88   2.377     36
        206.38   2.305    103
        198.75   2.220     87
        152.56   1.704     34
        152.13   1.699     35
        145.50   1.625     34
        144.88   1.618     35
        143.88   1.607     34
        143.69   1.605     34
        125.50   1.402     33
        125.13   1.398     34
        121.88   1.361     56
        113.75   1.271    603
         83.88   0.937     57
         81.81   0.914     47
         81.19   0.907     47
         78.63   0.878    175
         72.63   0.811     37
    

in CDCl3

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CCl4 solution

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liquid film

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4880 A,200 M,liquid

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