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628-67-1

1,4-丁二醇二乙酸酯(628-67-1)核磁图(1HNMR)

分子式:C8H14O4

分子量: 174.19

InChI:InChI=1S/C8H14O4/c1-7(9)11-5-3-4-6-12-8(2)10/h3-6H2,1-2H3

InChIKey: XUKSWKGOQKREON-UHFFFAOYSA-N

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

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    Mass

    MS-KW-0489          
    tetramethylene diacetate
    C8H14O4             (Mass of molecular ion:    174)
    

       Source Temperature: 240 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          15.0       2.9
          27.0       1.5
          28.0       1.3
          29.0       1.4
          39.0       1.7
          41.0       3.0
          42.0      10.5
          43.0     100.0
          44.0       3.0
          45.0       1.0
          54.0      35.1
          55.0       6.5
          58.0       2.5
          60.0       1.0
          61.0      12.6
          71.0      17.7
          72.0       2.2
          73.0       9.2
          84.0       1.1
          86.0       3.4
          87.0       1.9
         101.0       2.7
         102.0       1.0
         103.0       1.9
         114.0       3.1
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C8 H14 O4 0.05 ml : 0.5 ml CDCl3
    tetramethylene diacetate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.103 B 2.051 C 1.720

         Hz     ppm     Int.
    

        373.13   4.167     57
        371.88   4.153     53
        369.38   4.125     72
        366.81   4.096    151
        365.69   4.084     71
        364.63   4.072     64
        361.69   4.039     49
        360.69   4.028     50
        183.75   2.052   1000
        180.19   2.012     25
        159.69   1.784     61
        158.56   1.771     50
        156.31   1.746     81
        153.44   1.714    178
        150.75   1.684     71
        148.31   1.656     41
        147.19   1.644     47
    

in CDCl3

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liquid film

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4880 A,200 M,liquid

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