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

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