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638-53-9

十三酸(638-53-9)红外图谱(IR2)

产品名称:十三酸

CAS:638-53-9

分子式:C13H26O2

分子量: 214.34

InChI:InChI=1S/C13H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2-12H2,1H3,(H,14,15)

InChIKey: SZHOJFHSIKHZHA-UHFFFAOYSA-N

Smiles:C(O)(=O)CCCCCCCCCCCC

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    Mass

    MS-NW-2245          
    tridecanoic acid
    C13H26O2            (Mass of molecular ion:    214)
    

       Source Temperature: 290 °C
       Sample Temperature: 170 °C
       Reservoir, 75 eV
    

          18.0       4.3
          27.0      12.4
          28.0       4.3
          29.0      23.1
          31.0       1.0
          32.0       1.1
          39.0       8.0
          40.0       1.5
          41.0      40.8
          42.0       9.6
          43.0      57.5
          44.0       2.0
          45.0       4.3
          53.0       2.6
          54.0       3.3
          55.0      36.3
          56.0      11.0
          57.0      56.5
          58.0       2.5
          59.0       3.2
          60.0      92.1
          61.0      18.9
          67.0       3.8
          68.0       3.9
          69.0      23.8
          70.0       8.4
          71.0      29.9
          72.0       1.7
          73.0     100.0
          74.0       8.2
          79.0       1.1
          81.0       3.0
          82.0       3.7
          83.0      14.3
          84.0       9.3
          85.0      24.3
          86.0       1.9
          87.0      15.1
          88.0       1.4
          95.0       2.0
          96.0       3.2
          97.0      10.7
          98.0      11.5
          99.0       9.3
         101.0       6.6
         102.0       2.4
         110.0       1.7
         111.0       5.5
         112.0       3.3
         113.0       4.2
         115.0      16.9
         116.0       3.1
         124.0       1.5
         125.0       2.6
         126.0       1.8
         129.0      34.1
         130.0       3.1
         143.0       3.9
         152.0       4.4
         154.0       3.5
         155.0       2.8
         157.0       4.0
         171.0      23.5
         172.0       2.8
         185.0       8.0
         186.0       1.2
         214.0      19.1
         215.0       2.7
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C13 H26 O2 0.042 g : 0.5 ml CDCl3
    tridecanoic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 11. B 2.33 C 1.63 D 1.26 E 0.88

         Hz     ppm     Int.
    

        217.98   2.434     23
        216.87   2.422     26
        210.29   2.349     68
        202.69   2.264     57
        146.29   1.634     24
        145.95   1.630     24
        144.92   1.619     23
        127.32   1.422     23
        112.88   1.261   1000
         83.83   0.937     39
         82.29   0.919     34
         81.86   0.915     33
         81.18   0.907     32
         78.87   0.881    130
         72.89   0.814     28
         72.63   0.811     28
    

in CDCl3

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CCl4 solution

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KBr disc

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nujol mull

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4880 A,200 M,powder

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