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488-10-8

茉莉酮(488-10-8)核磁图(1HNMR)

产品名称:茉莉酮

CAS:488-10-8

分子式:C11H16O

分子量: 164.24

InChI:InChI=1S/C11H16O/c1-3-4-5-6-10-9(2)7-8-11(10)12/h4-5H,3,6-8H2,1-2H3

InChIKey: XMLSXPIVAXONDL-UHFFFAOYSA-N

Smiles:C1(=O)CCC(C)=C1CC=CCC

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    Mass

    MS-NW-8624          
    cis-3-methyl-2-(2-pentenyl)-2-cyclopentenone
    C11H16O             (Mass of molecular ion:    164)
    

       Source Temperature: 260 °C
       Sample Temperature: 140 °C
       Reservoir, 75 eV
    

          26.0       1.0
          27.0      20.4
          28.0       3.9
          29.0      14.4
          38.0       1.8
          39.0      33.1
          40.0       6.8
          41.0      43.8
          42.0       2.9
          43.0      11.6
          50.0       3.9
          51.0      13.8
          52.0       8.4
          53.0      26.5
          54.0       4.2
          55.0      50.6
          56.0       3.0
          57.0       1.8
          62.0       1.3
          63.0       5.6
          64.0       1.9
          65.0      19.5
          66.0      11.2
          67.0      36.6
          68.0       6.2
          69.0       4.0
          75.0       1.0
          77.0      40.8
          78.0      10.1
          79.0      83.9
          80.0      14.9
          81.0      42.2
          82.0      15.1
          83.0       1.7
          89.0       1.4
          91.0      50.9
          92.0       7.9
          93.0      57.1
          94.0      13.3
          95.0      19.2
          96.0       3.4
          97.0       1.2
         103.0       3.9
         104.0       1.8
         105.0      21.3
         106.0       4.2
         107.0      39.8
         108.0       9.3
         109.0      43.5
         110.0      75.8
         111.0       6.3
         115.0       3.5
         116.0       2.0
         117.0       4.9
         118.0       1.2
         119.0       4.8
         120.0       2.9
         121.0      27.8
         122.0      64.7
         123.0      12.6
         124.0       1.2
         129.0       1.2
         131.0      28.4
         132.0       3.4
         133.0       3.8
         134.0       1.7
         135.0      59.8
         136.0      17.2
         137.0       1.7
         145.0       2.9
         146.0       5.0
         147.0       4.7
         149.0      70.2
         150.0       7.8
         163.0       3.0
         164.0     100.0
         165.0      14.0
         166.0       1.1
    

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in CDCl3

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liquid film

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