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2104-19-0

壬二酸氢甲酯(2104-19-0)质谱(MS)

产品名称:壬二酸氢甲酯

CAS:2104-19-0

分子式:C10H18O4

分子量: 202.25

InChI:InChI=1S/C10H18O4/c1-14-10(13)8-6-4-2-3-5-7-9(11)12/h2-8H2,1H3,(H,11,12)

InChIKey: VVWPSAPZUZXYCM-UHFFFAOYSA-N

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

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    Mass

    MS-KW-0502          
    methyl hydrogen azelate
    C10H18O4            (Mass of molecular ion:    202)
    

       Source Temperature: 230 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          15.0       7.8
          18.0       1.5
          27.0       9.7
          28.0       3.2
          29.0      12.2
          31.0       4.5
          39.0       8.2
          40.0       1.8
          41.0      30.0
          42.0       9.7
          43.0      44.5
          44.0       2.4
          45.0      10.4
          53.0       3.2
          54.0       2.7
          55.0      68.5
          56.0       6.5
          57.0       7.5
          58.0       1.0
          59.0      26.4
          60.0      11.9
          67.0       7.3
          68.0       7.5
          69.0      27.5
          70.0       3.7
          71.0       2.1
          73.0       8.7
          74.0     100.0
          75.0       7.3
          79.0       2.3
          80.0       3.7
          81.0       7.6
          82.0       9.9
          83.0      43.2
          84.0      31.8
          85.0       3.1
          87.0      27.1
          88.0       4.9
          92.0       1.0
          93.0       2.2
          95.0       3.3
          96.0       9.5
          97.0      19.2
          98.0      19.4
          99.0       2.6
         100.0       1.5
         101.0       6.6
         107.0       2.8
         109.0       1.5
         110.0       6.1
         111.0      36.3
         112.0       2.9
         113.0       2.2
         114.0       3.5
         115.0       2.0
         123.0       2.0
         124.0      22.4
         125.0      11.3
         126.0       2.5
         127.0       1.6
         128.0       3.5
         129.0       2.6
         134.0       1.8
         135.0       1.4
         137.0       2.7
         140.0       1.1
         141.0       1.5
         143.0      10.0
         151.0       1.1
         152.0      75.1
         153.0       8.4
         156.0       3.1
         171.0      22.7
         172.0       2.4
         184.0       1.7
         185.0       3.9
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C10 H18 O4 0.04 ml : 0.5 ml CDCl3
    methyl hydrogen azelate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 11. B 3.671 C *1 2.348 D *1 2.308 E 1.65 to 1.610 F 1.42 to 1.260

         Hz     ppm     Int.
    

       1467.35   3.672   1000
        945.87   2.367    100
        938.55   2.349    173
        930.85   2.330    129
        929.94   2.327    139
        922.43   2.309    180
        914.92   2.290    119
        659.22   1.650     55
        658.48   1.648     55
        652.44   1.633     85
        648.04   1.622     79
        645.66   1.616     75
        641.63   1.606     50
        544.37   1.363     41
        533.75   1.336    161
        532.83   1.334    161
        529.90   1.326    223
        526.05   1.317     75
        520.38   1.303     40
        517.45   1.295     29
    

in CDCl3

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liquid film

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