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返回ChemicalBook首页>CAS数据库列表>2497-18-9更多图谱> 乙酸反-2-己烯酯(2497-18-9)核磁图(13CNMR)

2497-18-9

乙酸反-2-己烯酯(2497-18-9)核磁图(13CNMR)

产品名称:乙酸反-2-己烯酯

CAS:2497-18-9

分子式:C8H14O2

分子量: 142.2

InChI:InChI=1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h5-6H,3-4,7H2,1-2H3/b6-5+

InChIKey: HRHOWZHRCRZVCU-AATRIKPKSA-N

Smiles:C(OC(=O)C)/C=C/CCC

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    Mass

    MS-NW-1095          
    trans-2-hexenyl acetate
    C8H14O2             (Mass of molecular ion:    142)
    

       Source Temperature: 250 °C
       Sample Temperature: 170 °C
       Reservoir, 75 eV
    

          15.0       4.6
          18.0       1.1
          27.0      11.1
          28.0       1.8
          29.0       7.2
          31.0       1.5
          39.0      11.5
          40.0       1.9
          41.0      23.0
          42.0       4.0
          43.0     100.0
          44.0       4.8
          45.0       1.0
          51.0       1.2
          53.0       4.6
          54.0       7.9
          55.0      14.3
          56.0       7.9
          57.0      20.0
          58.0       2.5
          61.0       2.9
          67.0      29.7
          68.0       1.9
          69.0       1.6
          71.0       6.5
          72.0       2.7
          81.0       3.6
          82.0      24.2
          83.0       4.4
          99.0       3.9
         100.0      11.7
         113.0       1.1
         142.0       1.5
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C8 H14 O2 0.04 ml : 0.5 ml CDCl3
    trans-2-hexenyl acetate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 5.97 to 5.37 B 4.508 C 2.057 D 2.03 E 1.40 F 0.91

         Hz     ppm     Int.
    

        511.88   5.716     86
        508.69   5.680     49
        507.56   5.668     52
        506.44   5.655     46
        503.38   5.621     78
        497.75   5.558     31
        406.38   4.538    100
        405.63   4.530     59
        401.19   4.480    109
        185.56   2.072     97
        184.25   2.058   1000
        183.00   2.044    103
        180.25   2.013     50
        178.69   1.996     69
        173.25   1.935     30
        137.31   1.534     41
        130.38   1.456     45
        129.56   1.447     40
        129.00   1.441     36
        123.81   1.383     41
        122.44   1.368     63
        115.50   1.290     48
         88.56   0.989     72
         87.69   0.980    130
         86.94   0.971     92
         81.00   0.905    233
         74.44   0.832     39
         73.25   0.818     67
         71.94   0.804     34
    

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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