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84-69-5

邻苯二甲酸二异丁酯(84-69-5)核磁图(13CNMR)

分子式:C16H22O4

分子量: 278.34

InChI:InChI=1S/C16H22O4/c1-11(2)9-19-15(17)13-7-5-6-8-14(13)16(18)20-10-12(3)4/h5-8,11-12H,9-10H2,1-4H3

InChIKey: MGWAVDBGNNKXQV-UHFFFAOYSA-N

Smiles:C1(C(OCC(C)C)=O)=CC=CC=C1C(OCC(C)C)=O

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    Mass

    MS2014-05077CW      
    diisobutyl phthalate
    C16H22O4            (Mass of molecular ion:    278)
    

       Source Temperature: 250 °C
       Sample Temperature: 250 °C
       Reservoir, 70 eV
    

          27.0       2.1
          28.0       9.0
          29.0       3.0
          32.0       2.3
          38.0       1.0
          39.0       5.5
          40.0       1.3
          41.0      13.3
          42.0       1.4
          43.0       2.7
          50.0       3.4
          51.0       1.1
          55.0       2.7
          56.0       8.8
          57.0      10.4
          65.0       1.8
          74.0       1.3
          75.0       1.1
          76.0       8.6
          77.0       1.3
          93.0       1.8
         104.0      13.7
         105.0       2.3
         121.0       1.9
         122.0       1.0
         132.0       1.6
         148.0       1.7
         149.0     100.0
         150.0       9.2
         151.0       1.0
         167.0       3.5
         205.0       2.6
         223.0       9.1
         224.0       1.2
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C16 H22 O4 0.04 ml : 0.5 ml CDCl3
    diisobutyl phthalate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.71 B 7.53 C 4.089 D 2.03 E 0.991

         Hz     ppm     Int.
    

        696.94   7.782     60
        693.69   7.746     71
        691.88   7.726     51
        690.75   7.713     82
        688.13   7.684    124
        687.69   7.679    122
        684.13   7.639     41
        681.25   7.607     41
        677.75   7.568    123
        677.31   7.563    117
        674.69   7.534     62
        673.56   7.521     51
        671.88   7.503     67
        668.50   7.465     60
        369.63   4.128    491
        363.00   4.054    533
        189.63   2.118     42
        182.81   2.042     53
        176.25   1.968     48
         91.69   1.024   1000
         88.06   0.984     34
         85.06   0.950    789
    

in CDCl3

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Liquid film

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4880 A,200 M,liquid

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