1945-53-5

沼泽酸(1945-53-5)质谱(MS)

CAS:1945-53-5

分子式:C20H30O2

分子量: 302.45

InChI:InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h12-13,17H,5-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1

InChIKey: MLBYBBUZURKHAW-MISYRCLQSA-N

Smiles:[C@@]1(C)(C(O)=O)[C@@]2([H])[C@@](C)(C3=C(CC2)C=C(C(C)C)CC3)CCC1

¹³CNMR

Mass

MS-IW-7220          
palustric acid
C20H30O2            (Mass of molecular ion:    302)

   Source Temperature: 170 °C
   Sample Temperature: 160 °C
   Direct, 75 eV

      17.0       2.9
      18.0      15.0
      27.0       3.1
      28.0       7.3
      29.0       3.8
      39.0       4.2
      40.0       1.1
      41.0      17.5
      42.0       1.9
      43.0      15.8
      44.0       3.0
      45.0       1.4
      51.0       1.6
      53.0       4.2
      55.0      12.3
      56.0       1.1
      57.0       2.9
      65.0       3.5
      67.0       8.9
      68.0       1.0
      69.0       8.5
      70.0       1.2
      71.0       1.9
      76.0       1.6
      77.0       9.1
      78.0       3.2
      79.0      12.5
      80.0       1.8
      81.0      13.3
      82.0       2.1
      83.0       4.1
      84.0       1.3
      85.0       1.4
      86.0       1.3
      87.0       1.6
      89.0       1.8
      91.0      27.9
      92.0       9.6
      93.0      19.4
      94.0       2.5
      95.0       9.3
      96.0       1.8
      97.0       3.0
      99.0       1.3
     100.0       1.1
     101.0       1.0
     102.0       1.0
     103.0       2.8
     104.0       2.4
     105.0      32.7
     106.0      11.1
     107.0      15.9
     108.0       4.1
     109.0      15.1
     110.0       1.7
     111.0       1.4
     112.0       1.0
     113.0       1.1
     115.0      10.4
     116.0       3.5
     117.0      17.7
     118.0       3.6
     119.0      13.3
     120.0       3.4
     121.0      13.6
     122.0       4.6
     123.0       7.4
     125.0       1.1
     127.0       3.2
     128.0      10.3
     128.5       1.8
     129.0      17.0
     130.0       4.8
     131.0      31.8
     132.0       5.9
     133.0      20.7
     134.0      11.2
     135.0      23.8
     136.0      28.3
     137.0       4.1
     139.0       2.9
     141.0      10.7
     142.0       6.7
     143.0      18.1
     144.0       4.4
     145.0      12.7
     146.0       7.0
     147.0       9.9
     148.0      20.8
     149.0      30.0
     150.0       6.4
     151.0       3.3
     152.0       3.3
     153.0       5.0
     154.0       3.0
     155.0      10.3
     156.0       4.3
     157.0      17.4
     158.0       4.5
     159.0      15.8
     160.0       5.2
     161.0       4.6
     162.0       3.2
     163.0       1.0
     165.0       4.8
     166.0       2.3
     167.0       5.9
     168.0       2.5
     169.0       6.5
     170.0       2.8
     171.0       9.0
     172.0       3.7
     173.0       8.8
     174.0       2.6
     175.0       2.8
     178.0       2.7
     179.0       4.3
     180.0       1.6
     181.0       4.0
     182.0       2.1
     183.0       8.2
     184.0       3.1
     185.0      22.4
     186.0       6.2
     187.0      10.1
     188.0       4.0
     189.0       2.0
     191.0       1.7
     192.0       1.3
     193.0       2.6
     194.0       1.2
     195.0       3.4
     196.0       2.0
     197.0       9.1
     198.0       4.5
     199.0       9.0
     200.0       3.0
     201.0       6.5
     202.0       2.5
     203.0       2.2
     205.0       1.5
     206.0       1.6
     207.0       2.2
     209.0       2.6
     210.0       1.1
     211.0       5.0
     212.0       2.6
     213.0      28.2
     214.0       6.7
     215.0       4.4
     216.0       1.6
     217.0       1.1
     219.0       1.2
     221.0       1.2
     222.0       1.0
     223.0       3.1
     224.0       1.4
     225.0       5.3
     226.0       2.0
     227.0       2.6
     228.0       1.4
     231.0       2.0
     233.0       1.2
     235.0       1.3
     237.0       3.3
     238.0       1.8
     239.0      19.0
     240.0       5.8
     241.0      44.9
     242.0       9.7
     243.0       7.4
     244.0       1.5
     245.0       1.0
     248.0       1.3
     249.0       1.5
     250.0       1.5
     251.0       1.3
     252.0       3.9
     253.0       1.3
     254.0      10.6
     255.0       3.7
     256.0      30.9
     257.0      10.7
     258.0       7.2
     259.0      28.8
     260.0       5.5
     264.0       1.4
     266.0       1.3
     269.0       1.2
     285.0       8.8
     286.0       2.3
     287.0      79.9
     288.0      16.8
     289.0       2.3
     300.0       3.1
     301.0       1.6
     302.0     100.0
     303.0      22.2
     304.0       2.9

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