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143-07-7

月桂酸(143-07-7)质谱(MS)

产品名称:月桂酸

CAS:143-07-7

分子式:C12H24O2

分子量: 200.32

InChI:InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)

InChIKey: POULHZVOKOAJMA-UHFFFAOYSA-N

Smiles:C(O)(=O)CCCCCCCCCCC

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    Mass

    MS-NW-2307          
    lauric acid
    C12H24O2            (Mass of molecular ion:    200)
    

       Source Temperature: 170 °C
       Sample Temperature: 130 °C
       Direct, 75 eV
    

          18.0       2.3
          27.0      17.6
          28.0       3.9
          29.0      29.6
          31.0       1.5
          39.0      10.5
          40.0       2.1
          41.0      49.5
          42.0      11.0
          43.0      62.8
          44.0       2.2
          45.0       5.7
          53.0       3.0
          54.0       3.5
          55.0      39.5
          56.0      11.4
          57.0      52.1
          58.0       2.4
          59.0       3.4
          60.0      98.0
          61.0      18.8
          67.0       3.7
          68.0       3.5
          69.0      23.2
          70.0       8.2
          71.0      32.8
          72.0       1.7
          73.0     100.0
          74.0       9.0
          79.0       1.0
          81.0       2.8
          82.0       3.5
          83.0      12.7
          84.0       8.6
          85.0      30.2
          86.0       2.1
          87.0      16.5
          88.0       2.7
          95.0       1.5
          96.0       3.3
          97.0       9.9
          98.0       9.7
          99.0       7.4
         101.0      13.1
         102.0       2.4
         110.0       1.7
         111.0       5.2
         112.0       3.2
         115.0      16.2
         116.0       2.0
         129.0      31.3
         130.0       2.6
         138.0       4.7
         140.0       5.9
         141.0       3.7
         143.0       6.7
         157.0      22.0
         158.0       2.3
         171.0       7.1
         172.0       1.0
         200.0      27.5
         201.0       3.7
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C12 H24 O2 0.048 g : 0.5 ml CDCl3
    lauric acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 11. B 2.34 C 1.64 D 1.46 to 1.07 E 0.88

         Hz     ppm     Int.
    

        218.13   2.436     35
        217.12   2.425     35
        210.53   2.351     92
        202.92   2.266     72
        146.40   1.635     32
        145.94   1.630     33
        145.02   1.620     30
        125.97   1.407     47
        125.33   1.400     46
        124.23   1.388     48
        113.14   1.264   1000
         83.92   0.938     53
         82.18   0.918     44
         81.44   0.910     44
         81.08   0.906     44
         78.79   0.880    177
         72.74   0.813     36
    

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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