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109-19-3

异戊酸丁酯(109-19-3)核磁图(13CNMR)

产品名称:异戊酸丁酯

CAS:109-19-3

分子式:C9H18O2

分子量: 158.24

InChI:InChI=1S/C9H18O2/c1-4-5-6-11-9(10)7-8(2)3/h8H,4-7H2,1-3H3

InChIKey: AYWJSCLAAPJZEF-UHFFFAOYSA-N

Smiles:C(OCCCC)(=O)CC(C)C

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    Mass

    MS-NW-0935          
    butyl isovalerate
    C9H18O2             (Mass of molecular ion:    158)
    

       Source Temperature: 280 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          15.0       1.2
          18.0       2.1
          26.0       1.0
          27.0      16.0
          28.0       5.2
          29.0      36.3
          31.0       1.8
          39.0      12.8
          40.0       2.3
          41.0      52.8
          42.0       6.7
          43.0      20.8
          45.0       4.0
          53.0       1.2
          55.0      11.0
          56.0      89.3
          57.0      95.6
          58.0       4.3
          59.0       6.1
          60.0      29.5
          61.0      13.4
          69.0       2.8
          71.0       5.7
          72.0       1.0
          73.0       1.6
          85.0     100.0
          86.0       6.3
          87.0      16.6
          88.0       1.0
          89.0       2.8
         101.0       3.4
         102.0       4.1
         103.0      52.6
         104.0       3.0
         115.0       2.1
         116.0       4.4
    

in CDCl3

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CCl4 solution

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liquid film

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4880 A,200 M,liquid

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