514-10-3

松香酸(514-10-3)红外图谱(IR2)

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/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22)/t16-,17+,19+,20+/m0/s1

InChIKey: RSWGJHLUYNHPMX-ONCXSQPRSA-N

Smiles:[C@@]1(C)(C(O)=O)[C@@]2([H])[C@@](C)([C@]3([H])C(=CC2)C=C(C(C)C)CC3)CCC1

¹³CNMR

IR1

IR2

Mass

MS-IW-7219          
abietic acid
C20H30O2            (Mass of molecular ion:    302)

   Source Temperature: 170 °C
   Sample Temperature: 150 °C
   Direct, 75 eV

      17.0       2.1
      18.0      10.3
      27.0       3.4
      28.0       6.3
      29.0       4.4
      39.0       4.1
      41.0      17.6
      42.0       1.5
      43.0      16.9
      44.0       3.2
      45.0       1.5
      51.0       1.4
      53.0       4.5
      55.0      12.9
      56.0       1.0
      57.0       2.4
      65.0       3.6
      67.0       9.3
      69.0       7.3
      71.0       1.6
      76.0       1.0
      77.0       9.4
      78.0       3.1
      79.0      13.2
      80.0       2.1
      81.0      13.6
      82.0       1.7
      83.0       3.0
      85.0       1.1
      86.0       1.0
      87.0       1.6
      89.0       1.5
      91.0      27.9
      92.0      11.0
      93.0      19.4
      94.0       2.6
      95.0       9.0
      96.0       1.5
      97.0       3.2
      99.0       1.0
     100.0       1.1
     103.0       2.9
     104.0       2.8
     105.0      31.2
     106.0       5.8
     107.0      11.3
     108.0       3.0
     109.0      13.5
     110.0       2.3
     111.0       1.5
     113.0       1.0
     115.0       8.9
     116.0       3.1
     117.0      14.7
     118.0       3.2
     119.0      13.6
     120.0       3.3
     121.0      18.4
     122.0       4.2
     123.0       7.6
     125.0       1.2
     127.0       2.7
     128.0       8.3
     128.5       2.2
     129.0      12.4
     130.0       3.8
     131.0      33.1
     132.0       5.8
     133.0      16.5
     134.0      11.9
     135.0      27.4
     136.0      46.0
     137.0       6.4
     139.0       4.4
     141.0       8.1
     142.0       4.9
     143.0      14.8
     144.0       3.7
     145.0      11.7
     146.0       6.5
     147.0       8.4
     148.0      14.1
     149.0      10.3
     150.0       2.3
     151.0       2.3
     152.0       2.5
     153.0       3.8
     154.0       2.3
     155.0       7.6
     156.0       3.0
     157.0      16.7
     158.0       3.9
     159.0      10.0
     160.0       3.5
     161.0       3.8
     162.0       2.1
     165.0       3.9
     166.0       1.9
     167.0       6.0
     168.0       2.0
     169.0       5.1
     170.0       1.9
     171.0       7.7
     172.0       2.9
     173.0       6.9
     174.0       2.0
     175.0       2.1
     178.0       2.5
     179.0       3.0
     180.0       1.3
     181.0       3.2
     182.0       1.5
     183.0       6.3
     184.0       2.1
     185.0      14.2
     186.0       4.0
     187.0       9.3
     188.0       3.1
     189.0       1.9
     191.0       1.4
     192.0       1.1
     193.0       2.7
     194.0       1.0
     195.0       3.4
     196.0       1.4
     197.0       6.8
     198.0       2.8
     199.0       5.8
     200.0       2.2
     201.0       5.8
     202.0       2.1
     203.0       1.6
     205.0       1.2
     207.0       1.5
     209.0       1.9
     211.0       3.7
     212.0       1.8
     213.0      28.1
     214.0       6.3
     215.0       3.0
     216.0       1.0
     217.0       1.0
     218.0       1.0
     219.0       1.0
     223.0       2.5
     224.0       1.0
     225.0       2.7
     226.0       1.1
     227.0       1.5
     228.0       1.0
     231.0       1.3
     233.0       1.3
     235.0       1.7
     237.0       3.9
     238.0       1.4
     239.0      12.9
     240.0       3.6
     241.0      33.6
     242.0       7.1
     243.0       4.2
     248.0       1.6
     250.0       2.0
     251.0       1.0
     252.0       4.3
     253.0       1.4
     254.0      10.7
     255.0       4.0
     256.0      26.5
     257.0       9.9
     258.0       4.6
     259.0      40.4
     260.0       7.7
     261.0       1.0
     285.0       4.2
     286.0       1.0
     287.0      24.8
     288.0       5.1
     298.0       1.6
     300.0       2.7
     301.0       1.5
     302.0     100.0
     303.0      22.7
     304.0       2.8

in CDCl3