8-羥基久洛里定(41175-50-2)核磁圖(¹³CNMR)

產(chǎn)品名稱:8-羥基久洛里定

CAS:41175-50-2

分子式:C12H15NO

分子量: 189.25

InChI:InChI=1S/C12H15NO/c14-11-6-5-9-3-1-7-13-8-2-4-10(11)12(9)13/h5-6,14H,1-4,7-8H2

InChIKey: FOFUWJNBAQJABO-UHFFFAOYSA-N

Smiles:C12=CC=C(O)C3=C1N(CCC3)CCC2

Mass

MS-IW-1100          
2,3,6,7-tetrahydro-1H,5H-pyrido(3,2,1-ij)quinolin-8-ol
C12H15NO            (Mass of molecular ion:    189)

   Source Temperature: 160 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      39.0       1.2
      51.0       1.3
      65.0       1.1
      77.0       2.4
      79.5       1.2
      80.5       2.8
      91.0       1.2
      93.5       1.8
      94.5       2.4
     115.0       1.1
     117.0       1.9
     130.0       1.9
     131.0       1.0
     132.0       1.9
     133.0       1.6
     144.0       1.1
     146.0       3.8
     147.0       1.0
     158.0       2.1
     159.0       1.1
     160.0      15.7
     161.0       3.3
     170.0       1.1
     172.0       3.4
     173.0       1.8
     174.0       5.7
     186.0       4.1
     187.0       1.7
     188.0      71.9
     189.0     100.0
     190.0      13.2
     191.0       1.0
     229.0       1.0

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₂ H₁₅ N O	0.044 g : 0.5 ml CDCl₃
2,3,6,7-tetrahydro-1H,5H-pyrido(3,2,1-ij)quinolin-8-ol

    Assign.     Shift(ppm)

      A             6.629
      B             6.026
      C             4.6
      D             3.068
      E             2.66
      F             1.958

     Hz     ppm     Int.

   2654.42   6.642    231
   2653.69   6.641    347
   2652.95   6.639    263
   2649.17   6.629     32
   2646.36   6.622    249
   2645.63   6.620    375
   2644.90   6.619    282
   2412.35   6.037    669
   2404.30   6.017    627
   1244.14   3.114     49
   1234.74   3.090    547
   1232.18   3.084    223
   1229.00   3.076    959
   1226.56   3.070    324
   1223.51   3.062   1000
   1219.97   3.053    189
   1217.77   3.048    565
   1076.42   2.694    362
   1069.95   2.678    644
   1062.50   2.659    559
   1055.18   2.641    740
   1048.46   2.624    411
    799.07   2.000    211
    796.88   1.994    110
    794.80   1.989    163
    793.33   1.986    269
    792.36   1.983    454
    790.28   1.978    201
    787.84   1.972    471
    786.87   1.969    456
    785.52   1.966    424
    783.45   1.961    292
    781.13   1.955    709
    778.81   1.949    280
    776.49   1.943    410
    774.41   1.938    513
    772.22   1.933    176
    769.78   1.927    355
    767.70   1.921    144
    765.63   1.916     71
    763.18   1.910    166