118-10-5

辛可宁(118-10-5)红外图谱(IR2)

分子式:C19H22N2O

分子量: 294.39

InChI:InChI=1S/C19H22N2O/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17/h2-7,9,13-14,18-19,22H,1,8,10-12H2/t13-,14-,18+,19-/m0/s1

InChIKey: KMPWYEUPVWOPIM-QAMTZSDWSA-N

Smiles:[C@@H](O)([C@@H]1[N@]2CC[C@H]([C@H](C2)C=C)C1)C1=CC=NC2=CC=CC=C12

Mass

MS-IW-0991          
cinchonine
C19H22N2O           (Mass of molecular ion:    294)

   Source Temperature: 180 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      17.0       1.1
      18.0       7.5
      29.0       1.0
      30.0       1.1
      39.0       1.1
      41.0       4.2
      42.0       6.2
      43.0       1.1
      44.0       3.0
      53.0       2.3
      54.0       1.1
      55.0       7.3
      56.0       3.8
      57.0       1.1
      66.0       1.0
      67.0       2.7
      68.0       1.9
      69.0       1.6
      70.0       1.8
      77.0       2.2
      79.0       5.7
      80.0       2.4
      81.0      11.9
      82.0       7.7
      83.0       1.7
      91.0       1.2
      93.0       3.3
      94.0       2.9
      95.0       6.6
      96.0       1.7
     105.0       1.9
     107.0       1.4
     108.0       3.7
     109.0       2.2
     110.0       2.7
     111.0       2.2
     115.0       1.1
     121.0       1.0
     122.0       2.6
     123.0       1.4
     124.0       3.9
     126.0       2.4
     128.0       2.1
     129.0       2.6
     130.0       6.4
     134.0       1.7
     135.0       1.0
     136.0     100.0
     137.0      12.4
     138.0      10.9
     139.0       2.4
     142.0       2.4
     143.0      10.7
     144.0       1.7
     152.0       1.4
     154.0       1.5
     156.0       3.2
     157.0       1.6
     158.0       3.6
     159.0      13.0
     160.0       1.6
     166.0       1.1
     167.0       1.7
     168.0       2.5
     169.0       1.8
     170.0       1.7
     171.0       1.5
     172.0       1.5
     183.0       1.1
     184.0       1.9
     237.0       1.1
     239.0       1.3
     253.0       4.1
     265.0       1.1
     267.0       1.6
     277.0       1.6
     293.0       1.9
     294.0      21.8
     295.0       5.2
     296.0       3.8