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700-12-9

五甲基苯(700-12-9)紅外圖譜(IR2)

產(chǎn)品名稱: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

  • 圖譜
    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

  • 圖譜

    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

  • 圖譜

KBr disc

  • 圖譜

nujol mull

  • 圖譜

4880 A,200 M,powder

  • 圖譜

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