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返回ChemicalBook首页>CAS数据库列表>110104-60-4更多图谱> (E)4-氯-3-甲氧基-2-丁稀酸甲酯(110104-60-4)核磁图(13CNMR)

110104-60-4

(E)4-氯-3-甲氧基-2-丁稀酸甲酯(110104-60-4)核磁图(13CNMR)

分子式:C6H9ClO3

分子量: 164.59

InChI:InChI=1S/C6H9ClO3/c1-9-5(4-7)3-6(8)10-2/h3H,4H2,1-2H3/b5-3+

InChIKey: JNYMRXDQVPIONI-HWKANZROSA-N

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

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    Mass

    MS-IW-5081          
    methyl (E)-4-chloro-3-methoxy-2-butenoate
    C6H9ClO3            (Mass of molecular ion:    164)
    

       Source Temperature: 210 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          15.0       8.4
          26.0       1.8
          27.0       9.2
          28.0       2.3
          29.0       4.2
          31.0       3.0
          37.0       1.2
          38.0       3.2
          39.0      15.3
          40.0       8.6
          41.0       6.1
          42.0       3.8
          43.0       3.1
          45.0       3.7
          47.0       2.0
          49.0       4.8
          51.0       2.2
          53.0       3.9
          55.0      19.0
          56.0       1.8
          57.0       1.7
          59.0      24.7
          61.0       1.7
          67.0      14.5
          68.0      25.8
          69.0      15.9
          70.0       1.1
          71.0       1.2
          73.0       4.2
          75.0       3.5
          77.0       3.5
          79.0       1.6
          83.0      26.6
          84.0       1.5
          85.0       2.9
          89.0       2.2
          91.0       1.0
          96.0      11.5
          97.0       5.7
          98.0       3.5
          99.0       7.0
         101.0       3.7
         102.0       5.1
         103.0       4.3
         104.0       1.8
         105.0       5.6
         106.0       1.3
         107.0       1.4
         114.0       1.2
         115.0       3.8
         123.0       2.9
         129.0       1.8
         132.0      89.0
         133.0     100.0
         134.0      34.0
         135.0      38.2
         136.0       2.3
         137.0       2.2
         147.0       3.3
         164.0      32.5
         165.0       4.3
         166.0      10.7
         167.0       1.4
    

parameter in CDCl3

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    1H NMR 300 MHz
    C6 H9 Cl O3 0.05 ml : 0.5 ml CDCl3
    methyl (E)-4-chloro-3-methoxy-2-butenoate
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 5.160 D(B) 4.657 D(C) *1 3.724 D(D) *1 3.717

         Hz     ppm     Int.
    

       1547.99   5.160    323
       1397.10   4.657    646
       1117.19   3.724   1000
       1115.11   3.717   1000
    

in CDCl3

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liquid film

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