7683-64-9

角鲨烯(7683-64-9)核磁图(¹³CNMR)

分子式:C30H50

分子量: 410.72

InChI:InChI=1S/C30H50/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h15-18,23-24H,9-14,19-22H2,1-8H3

InChIKey: YYGNTYWPHWGJRM-UHFFFAOYSA-N

Smiles:C/C(/C)=C\CCC(C)=CCCC(C)=CCCC=C(C)CCC=C(C)CC/C=C(/C)\C

¹³CNMR

IR1

IR2

Mass

MS-NW-8230          
2,6,10,15,19,23-hexamethyl-2,6,10,14,18,22-tetracosahexaene
C30H50              (Mass of molecular ion:    410)

   Source Temperature: 160 °C
   Sample Temperature:  90 °C
   Direct, 75 eV

      18.0       1.0
      27.0       1.2
      29.0       2.0
      39.0       1.7
      41.0      25.8
      42.0       1.3
      43.0       3.5
      53.0       3.6
      55.0       6.8
      57.0       2.8
      67.0       8.3
      68.0      12.5
      69.0     100.0
      70.0       5.8
      71.0       1.7
      77.0       1.8
      79.0       4.0
      80.0       3.0
      81.0      61.3
      82.0       8.4
      83.0       4.1
      91.0       2.5
      92.0       2.2
      93.0      11.6
      94.0       7.3
      95.0      18.5
      96.0       2.4
      97.0       2.4
     105.0       2.8
     106.0       1.3
     107.0       8.6
     108.0       3.2
     109.0      12.0
     110.0       1.7
     111.0       2.1
     119.0       4.4
     120.0       1.7
     121.0      14.0
     122.0       4.9
     123.0      13.8
     124.0       1.9
     133.0       3.0
     134.0       4.2
     135.0      10.1
     136.0      24.4
     137.0      24.1
     138.0       2.7
     147.0       4.8
     148.0       2.4
     149.0      12.0
     150.0       3.3
     151.0       1.2
     161.0       3.6
     162.0       2.1
     163.0       3.5
     175.0       4.2
     176.0       1.5
     177.0       3.5
     178.0       1.0
     189.0       3.7
     190.0       1.9
     191.0       5.9
     192.0       6.1
     193.0       1.1
     203.0       4.7
     204.0       2.0
     205.0       3.3
     217.0       2.2
     218.0       2.4
     229.0       1.0
     231.0       2.9
     257.0       1.0
     259.0       1.0
     260.0       1.1
     273.0       2.4
     299.0       1.8
     328.0       2.4
     341.0       6.7
     342.0       1.9
     367.0       2.5
     410.0       9.2
     411.0       3.1

in CDCl3