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700-12-9

五甲基苯(700-12-9)核磁图(13CNMR)

产品名称:五甲基苯

CAS:700-12-9

分子式:C11H16

分子量: 148.24

InChI:InChI=1S/C11H16/c1-7-6-8(2)10(4)11(5)9(7)3/h6H,1-5H3

InChIKey: BEZDDPMMPIDMGJ-UHFFFAOYSA-N

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

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    Mass

    MS-NW-4461          
    pentamethylbenzene
    C11H16              (Mass of molecular ion:    148)
    

       Source Temperature: 230 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          27.0       2.2
          39.0       3.8
          41.0       4.1
          51.0       2.8
          53.0       2.4
          55.0       1.0
          63.0       1.6
          64.0       1.5
          65.0       2.8
          77.0       4.3
          78.0       1.1
          79.0       2.2
          91.0       8.0
          92.0       1.0
          93.0       1.3
         103.0       1.4
         105.0       5.4
         115.0       4.6
         116.0       2.4
         117.0       5.3
         118.0       1.7
         119.0       2.2
         128.0       1.4
         129.0       1.2
         131.0       2.5
         132.0       1.2
         133.0     100.0
         134.0      11.4
         147.0       7.6
         148.0      53.8
         149.0       6.6
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C11 H16 0.048 g : 0.5 ml CDCl3
    pentamethylbenzene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 6.82 B *1 2.22 C 2.20 D *1 2.16

         Hz     ppm     Int.
    

        610.44   6.816    121
        199.06   2.223    989
        196.63   2.196    654
        193.56   2.162   1000
    

in CDCl3

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KBr disc

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nujol mull

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4880 A,200 M,powder

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