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111-61-5

十八酸乙酯(111-61-5)Raman光谱

产品名称:十八酸乙酯

CAS:111-61-5

分子式:C20H40O2

分子量: 312.53

InChI:InChI=1S/C20H40O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h3-19H2,1-2H3

InChIKey: MVLVMROFTAUDAG-UHFFFAOYSA-N

Smiles:C(OCC)(=O)CCCCCCCCCCCCCCCCC

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    Mass

    MS-NW-3781          
    ethyl stearate
    C20H40O2            (Mass of molecular ion:    312)
    

       Source Temperature: 190 °C
       Sample Temperature: 100 °C
       Direct, 75 eV
    

          27.0       3.4
          28.0       1.3
          29.0      12.6
          39.0       1.7
          41.0      14.8
          42.0       3.4
          43.0      22.6
          45.0       3.0
          54.0       1.2
          55.0      13.6
          56.0       3.3
          57.0      14.2
          60.0       5.1
          61.0       6.7
          67.0       2.0
          68.0       1.0
          69.0       8.4
          70.0       6.9
          71.0       6.0
          73.0       8.0
          74.0       1.0
          81.0       1.8
          83.0       5.6
          84.0       2.6
          85.0       3.2
          87.0       1.3
          88.0     100.0
          89.0      22.2
          90.0       1.2
          95.0       1.6
          97.0       4.3
          98.0       2.6
         101.0      45.5
         102.0       4.0
         111.0       2.1
         115.0       4.6
         125.0       1.1
         129.0       1.9
         130.0       1.1
         143.0       4.9
         144.0       1.5
         157.0      13.2
         158.0       1.6
         171.0       1.3
         185.0       1.2
         199.0       2.1
         213.0       3.2
         227.0       1.4
         239.0       1.4
         241.0       1.9
         255.0       1.2
         267.0       4.7
         269.0       4.5
         270.0       1.0
         283.0       1.1
         284.0       6.5
         285.0       1.3
         298.0       1.2
         312.0      24.2
         313.0       5.7
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C20 H40 O2 0.04 ml : 0.5 ml CDCl3
    ethyl stearate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.119 B 2.28 C 1.62 D 1.251 E 1.43 to 1.09 F 0.89

         Hz     ppm     Int.
    

        372.75   4.163     65
        365.63   4.083     69
        358.50   4.003     22
        204.81   2.287     29
        197.13   2.202     26
        119.00   1.329    114
        112.69   1.259   1000
        104.75   1.170     85
         78.81   0.880     53
    

in CDCl3

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CCl4 solution

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KBr disc

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liquid film

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nujol mull

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