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626-38-0

乙酸仲戊酯(626-38-0)質(zhì)譜(MS)

產(chǎn)品名稱:乙酸仲戊酯

CAS:626-38-0

分子式:C7H14O2

分子量: 130.18

InChI:InChI=1S/C7H14O2/c1-4-5-6(2)9-7(3)8/h6H,4-5H2,1-3H3

InChIKey: GQKZRWSUJHVIPE-UHFFFAOYSA-N

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

  • 圖譜
    Mass 

    MS-NW-5718          
1-methylbutyl acetate
C7H14O2             (Mass of molecular ion:    130)


       Source Temperature: 250 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV


          15.0       3.0
      27.0       4.7
      29.0       3.9
      39.0       3.0
      41.0       5.3
      42.0       6.9
      43.0     100.0
      44.0       2.7
      45.0       5.1
      55.0      13.4
      58.0       1.4
      61.0       3.4
      70.0      16.8
      71.0       2.9
      86.0       1.8
      87.0      23.2
      88.0       1.1
     102.0       1.3
     115.0       2.1

90 MHz in CDCl3

  • 圖譜

    1H NMR 89.56 MHz
    C7 H14 O2 0.04 ml : 0.5 ml CDCl3
    1-methylbutyl acetate
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             4.91
      B             2.021
      C             1.49
      D             1.36
      E             1.203
      F             0.91
  

         Hz     ppm     Int.


        181.00   2.021   1000
    134.56   1.503     31
    130.88   1.462     47
    130.00   1.452     34
    129.19   1.443     31
    127.88   1.428     41
    126.94   1.418     32
    126.25   1.410     35
    124.25   1.388     33
    110.81   1.238    394
    104.56   1.168    377
     88.25   0.986     42
     87.56   0.978     47
     87.00   0.972     43
     86.00   0.961     37
     83.81   0.936     31
     81.69   0.913    100
     79.94   0.893     47
     79.31   0.886     42
     77.94   0.871     36

in CDCl3

  • 圖譜

liquid film

  • 圖譜

4880 A,200 M,liquid

  • 圖譜

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