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547-63-7

異丁酸甲酯(547-63-7)質(zhì)譜(MS)

產(chǎn)品名稱:異丁酸甲酯

CAS:547-63-7

分子式:C5H10O2

分子量: 102.13

InChI:InChI=1S/C5H10O2/c1-4(2)5(6)7-3/h4H,1-3H3

InChIKey: BHIWKHZACMWKOJ-UHFFFAOYSA-N

Smiles:C(OC)(=O)C(C)C

  • 圖譜
    Mass 

    MS-NW-0010          
methyl isobutyrate
C5H10O2             (Mass of molecular ion:    102)


       Source Temperature: 200 °C
   Sample Temperature:  65 °C
   Reservoir, 75 eV


          15.0      12.2
      17.0       1.0
      18.0       4.5
      26.0       1.8
      27.0      16.1
      28.0       2.7
      29.0       1.9
      31.0       1.9
      33.0       1.4
      38.0       1.1
      39.0       8.6
      40.0       1.7
      41.0      30.0
      42.0      13.5
      43.0     100.0
      44.0       3.5
      45.0       1.4
      55.0       5.8
      59.0      23.1
      60.0       1.0
      61.0       4.8
      70.0       1.2
      71.0      42.0
      72.0       2.1
      74.0       5.1
      87.0      22.3
      88.0       1.0
     102.0      16.3
     103.0       1.1

parameter in CDCl3

  • 圖譜

    1H NMR 300 MHz
    C5 H10 O2 0.04 ml : 0.5 ml CDCl3
    methyl isobutyrate
    ChemicalStructure 
        Parameter     ppm  Hz
    
      D(A)         3.669
     
      D(B)         2.557
      D(C)         1.170
       J(B,C)          6.94
  

         Hz     ppm     Int.


       1100.69   3.669   1000
    781.12   2.604     28
    774.20   2.581     68
    767.23   2.557     92
    760.31   2.534     72
    753.36   2.511     31
    354.46   1.182    994
    347.52   1.158    957

in CDCl3

  • 圖譜

CCl4 solution

  • 圖譜

liquid film

  • 圖譜

4880 A,200 M,liquid

  • 圖譜

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