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返回ChemicalBook首頁>CAS數(shù)據(jù)庫列表>558-37-2更多圖譜> 3,3-二甲基-1-丁烯(558-37-2)紅外圖譜(IR1)

558-37-2

3,3-二甲基-1-丁烯(558-37-2)紅外圖譜(IR1)

產(chǎn)品名稱:3,3-二甲基-1-丁烯

CAS:558-37-2

分子式:C6H12

分子量: 84.16

InChI:InChI=1S/C6H12/c1-5-6(2,3)4/h5H,1H2,2-4H3

InChIKey: PKXHXOTZMFCXSH-UHFFFAOYSA-N

Smiles:C=CC(C)(C)C

  • 圖譜
    Mass 

    MS-NW-3189          
3,3-dimethyl-1-butene
C6H12               (Mass of molecular ion:     84)


       Source Temperature: 290 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV


          15.0       1.1
      26.0       1.0
      27.0       9.8
      29.0       6.5
      38.0       1.5
      39.0      14.0
      40.0       2.4
      41.0      83.5
      42.0       5.8
      43.0       3.7
      50.0       1.4
      51.0       2.3
      53.0       6.2
      54.0       1.1
      55.0       6.9
      56.0       7.3
      57.0       7.6
      67.0       3.6
      69.0     100.0
      70.0       6.1
      84.0      22.6
      85.0       1.5

90 MHz in CDCl3

  • 圖譜

    1H NMR 89.56 MHz
    C6 H12 0.05 ml : 0.5 ml CDCl3
    3,3-dimethyl-1-butene
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             5.834
      B             4.926
      C             4.820
      D             1.011
     
     J(A,B)=17.5HZ. J(A,C)=10.4HZ. J(B,C)=1.7HZ.
  

         Hz     ppm     Int.


        538.81   6.017     32
    528.38   5.900     37
    521.31   5.821     47
    510.88   5.705     58
    448.69   5.010     27
    447.00   4.992     43
    437.88   4.890     56
    436.19   4.871     38
    431.13   4.814     22
    429.50   4.796     25
    427.44   4.773     43
    425.81   4.755     36
     90.56   1.012   1000

in CDCl3

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liquid film

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