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79-31-2

異丁酸(79-31-2)質(zhì)譜(MS)

產(chǎn)品名稱:異丁酸

CAS:79-31-2

分子式:C4H8O2

分子量: 88.11

InChI:InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)

InChIKey: KQNPFQTWMSNSAP-UHFFFAOYSA-N

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

  • 圖譜
    Mass 

    MS-NW-2559          
isobutyric acid
C4H8O2              (Mass of molecular ion:     88)


       Source Temperature: 280 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV


          15.0       1.5
      26.0       2.1
      27.0      24.5
      28.0       2.1
      29.0       5.1
      38.0       1.4
      39.0       9.2
      40.0       1.6
      41.0      39.2
      42.0       9.9
      43.0     100.0
      44.0       3.6
      45.0       7.7
      55.0       3.9
      60.0       1.6
      71.0       2.0
      73.0      25.9
      88.0       8.0

90 MHz in CDCl3

  • 圖譜

    1H NMR 89.56 MHz
    C4 H8 O2 0.05 ml : 0.5 ml CDCl3
    isobutyric acid
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A            11.88
      B             2.58
      C             1.204
  

         Hz     ppm     Int.


       1064.10  11.882    101
    246.01   2.747     24
    239.51   2.675     40
    238.83   2.667     54
    232.08   2.592     74
    225.67   2.520     48
    224.90   2.512     67
    218.07   2.435     37
    111.00   1.240   1000
    108.86   1.216     44
    106.56   1.190     28
    104.08   1.163    865

in CDCl3

  • 圖譜

liquid film

  • 圖譜

  • 圖譜

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