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109-66-0

正戊烷(109-66-0)紅外圖譜(IR1)

產品名稱:正戊烷

CAS:109-66-0

分子式:C5H12

分子量: 72.15

InChI:InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3

InChIKey: OFBQJSOFQDEBGM-UHFFFAOYSA-N

Smiles:CCCCC

  • 圖譜
    Mass 

    MS-IW-3004          
pentane
C5H12               (Mass of molecular ion:     72)


       Source Temperature: 200 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV


          26.0       1.6
      27.0      22.2
      28.0       3.1
      29.0      20.3
      38.0       1.3
      39.0      12.2
      40.0       2.2
      41.0      50.5
      42.0      78.3
      43.0     100.0
      44.0       4.6
      53.0       1.1
      55.0       4.4
      56.0       3.7
      57.0      20.6
      72.0      17.8

90 MHz in CDCl3

  • 圖譜

    1H NMR 89.56 MHz
    C5 H12 0.04 ml : 0.5 ml CDCl3
    pentane
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             1.30
      B             1.26
      C             0.884
     
     THE SHIFT VALUES WERE OBTAINED AT 400MHZ.
  

         Hz     ppm     Int.


        128.00   1.430     44
    126.25   1.410     43
    123.13   1.375    104
    120.25   1.343    173
    112.81   1.260    732
    109.50   1.223    326
     97.75   1.092     46
     95.06   1.062     44
     94.56   1.056     44
     91.06   1.017     53
     84.38   0.943    367
     81.25   0.908    339
     79.06   0.883   1000
     72.81   0.813    261
     71.94   0.804    243
     69.19   0.773     90

in CDCl3

  • 圖譜

liquid film

  • 圖譜

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