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698-76-0

丁位辛内酯(698-76-0)质谱(MS)

产品名称:丁位辛内酯

CAS:698-76-0

分子式:C8H14O2

分子量: 142.2

InChI:InChI=1S/C8H14O2/c1-2-4-7-5-3-6-8(9)10-7/h7H,2-6H2,1H3

InChIKey: FYTRVXSHONWYNE-UHFFFAOYSA-N

Smiles:C1(=O)OC(CCC)CCC1

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    Mass

    MS-IW-4029          
    5-octanolide
    C8H14O2             (Mass of molecular ion:    142)
    

       Source Temperature: 210 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          27.0       7.8
          28.0       1.7
          29.0       5.1
          39.0       6.1
          40.0       1.3
          41.0      16.8
          42.0      40.1
          43.0      22.1
          44.0       2.1
          53.0       1.3
          54.0       1.4
          55.0      28.2
          56.0       6.3
          57.0       1.9
          67.0       1.8
          68.0       1.7
          69.0       4.0
          70.0      34.9
          71.0      44.1
          72.0       2.9
          82.0       1.5
          83.0       1.1
          86.0       1.3
          96.0       1.3
          99.0     100.0
         100.0       8.2
         113.0       1.1
         114.0       8.8
         124.0       3.6
         142.0       1.0
         143.0       1.1
    

in CDCl3

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liquid film

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