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3681-71-8

乙酸叶醇酯(3681-71-8)质谱(MS)

产品名称:乙酸叶醇酯

CAS:3681-71-8

分子式:C8H14O2

分子量: 142.2

InChI:InChI=1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h4-5H,3,6-7H2,1-2H3/b5-4-

InChIKey: NPFVOOAXDOBMCE-PLNGDYQASA-N

Smiles:C(OC(=O)C)C/C=C\CC

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    Mass

    MS-NW-8680          
    cis-3-hexenyl acetate
    C8H14O2             (Mass of molecular ion:    142)
    

       Source Temperature: 260 °C
       Sample Temperature: 140 °C
       Reservoir, 75 eV
    

          15.0       2.8
          27.0       4.5
          28.0       1.3
          29.0       3.0
          39.0       6.1
          40.0       1.1
          41.0      13.6
          42.0       2.6
          43.0     100.0
          44.0       2.4
          53.0       2.7
          54.0       5.9
          55.0       5.9
          65.0       1.0
          67.0      61.4
          68.0       4.0
          69.0       2.2
          73.0       3.7
          81.0       5.0
          82.0      45.0
          83.0       4.0
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C8 H14 O2 0.04 ml : 0.5 ml CDCl3
    cis-3-hexenyl acetate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 5.70 to 5.14 B 4.061 C 2.376 D 2.06 E 2.044 F 0.978

         Hz     ppm     Int.
    

        496.56   5.545     26
        489.44   5.465     64
        486.25   5.430     41
        484.88   5.415     50
        483.56   5.400     41
        480.38   5.364     62
        370.88   4.142    104
        363.94   4.064    224
        357.06   3.987    122
        222.56   2.486     35
        216.06   2.413     90
        209.31   2.338     88
        202.63   2.263     34
        192.13   2.146     49
        183.06   2.044   1000
        178.06   1.989     54
        177.56   1.983     54
         94.31   1.054    166
         87.06   0.973    324
         79.38   0.887    118
    

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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