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返回ChemicalBook首页>CAS数据库列表>42739-26-4更多图谱> 山梨酸乙烯酯(含对羟基苯甲醚阻聚剂)(42739-26-4)Raman光谱

42739-26-4

山梨酸乙烯酯(含对羟基苯甲醚阻聚剂)(42739-26-4)Raman光谱

分子式:C8H10O2

分子量: 138.16

InChI:InChI=1S/C8H10O2/c1-3-5-6-7-8(9)10-4-2/h3-7H,2H2,1H3/b5-3+,7-6+

InChIKey: ZHIUCPNDVATEDB-TWTPFVCWSA-N

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

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    Mass

    MS-NW-1021          
    vinyl trans,trans-2,4-hexadienoate
    C8H10O2             (Mass of molecular ion:    138)
    

       Source Temperature: 260 °C
       Sample Temperature: 130 °C
       Reservoir, 75 eV
    

          15.0       2.8
          18.0       1.2
          26.0       1.4
          27.0       5.6
          38.0       2.1
          39.0      19.8
          40.0       4.0
          41.0      39.8
          42.0       2.3
          43.0       1.4
          50.0       1.1
          51.0       2.3
          52.0       1.4
          55.0       1.6
          63.0       1.6
          65.0      10.6
          66.0       4.7
          67.0      57.8
          68.0       3.5
          95.0     100.0
          96.0       6.4
         138.0       2.5
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C8 H10 O2 0.04 ml : 0.5 ml CDCl3
    vinyl trans,trans-2,4-hexadienoate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.368 B 7.36 C 6.33 to 6.11 D 5.796 E 4.916 F 4.576 G 1.876

         Hz     ppm     Int.
    

        670.06   7.482    575
        663.69   7.411    634
        656.06   7.326    703
        651.25   7.272    192
        649.75   7.255    785
        647.25   7.228    203
        560.50   6.259    751
        556.31   6.212    337
        554.19   6.188    342
        552.75   6.172    716
        525.63   5.870    492
        511.00   5.706    428
        510.31   5.698    298
        447.69   4.999    633
        446.19   4.983    665
        433.69   4.843    540
        432.19   4.826    625
        413.75   4.620    617
        412.19   4.603    616
        407.38   4.549    627
        405.88   4.532    568
        170.63   1.906   1000
        169.44   1.892    552
        165.88   1.853    935
        165.44   1.848    957
    

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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