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返回ChemicalBook首頁>CAS數(shù)據(jù)庫列表>6975-85-5更多圖譜> 4-甲氧基丁-2-酮(6975-85-5)質(zhì)譜(MS)

6975-85-5

4-甲氧基丁-2-酮(6975-85-5)質(zhì)譜(MS)

產(chǎn)品名稱:4-甲氧基丁-2-酮

CAS:6975-85-5

分子式:C5H10O2

分子量: 102.13

InChI:InChI=1S/C5H10O2/c1-5(6)3-4-7-2/h3-4H2,1-2H3

InChIKey: DRWOJIIXBYNGGW-UHFFFAOYSA-N

Smiles:CC(=O)CCOC

  • 圖譜
    Mass 

    MS-IW-3561          
4-methoxy-2-butanone
C5H10O2             (Mass of molecular ion:    102)


       Source Temperature: 210 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV


          14.0       2.3
      15.0      20.6
      18.0       1.8
      26.0       3.6
      27.0      13.1
      28.0      12.8
      29.0      18.2
      30.0       1.2
      31.0      22.7
      32.0       2.7
      33.0       8.8
      38.0       1.1
      39.0       4.3
      41.0       6.3
      42.0      22.4
      43.0     100.0
      44.0       6.7
      45.0      94.5
      46.0       3.9
      53.0       1.2
      55.0      32.2
      56.0       1.4
      57.0       5.8
      58.0       3.0
      59.0      10.2
      60.0       3.7
      61.0       1.2
      69.0       1.2
      70.0      30.5
      71.0      29.7
      72.0      13.2
      73.0       1.2
      74.0       4.9
      75.0      25.1
      83.0       1.0
      85.0       1.9
      87.0      59.3
      88.0       3.0
     101.0       3.9
     102.0      36.1
     103.0       2.3

parameter in CDCl3

  • 圖譜

    1H NMR 300 MHz
    C5 H10 O2 0.05 ml : 0.5 ml CDCl3
    4-methoxy-2-butanone
    ChemicalStructure 
        Parameter     ppm  Hz
    
      D(A)         3.640
      D(C)         2.686
      D(D)         2.184
       J(A,C)          6.0
       J(A,D)          0.0
       J(C,D)          0.4
     
      D(B)         3.332
  

         Hz     ppm     Int.


       1098.07   3.660    157
   1092.08   3.640    326
   1086.07   3.620    170
    999.60   3.332   1000
    811.74   2.706    116
    805.72   2.686    218
    799.74   2.666    106
    655.21   2.184    737

in CDCl3

  • 圖譜

liquid film

  • 圖譜

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