1453-97-0

5-苄氧基芦竹碱(1453-97-0)核磁图(¹³CNMR)

产品名称:5-苄氧基芦竹碱

CAS:1453-97-0

分子式:C18H20N2O

分子量: 280.36

InChI:InChI=1S/C18H20N2O/c1-20(2)12-15-11-19-18-9-8-16(10-17(15)18)21-13-14-6-4-3-5-7-14/h3-11,19H,12-13H2,1-2H3

InChIKey: POTVAILTNPOQJH-UHFFFAOYSA-N

Smiles:N1C2=C(C=C(OCC3=CC=CC=C3)C=C2)C(CN(C)C)=C1

Mass

MS-NW-7128          
5-benzyloxy-3-(dimethylaminomethyl)indole
C18H20N2O           (Mass of molecular ion:    280)

   Source Temperature: 210 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      18.0       1.6
      28.0       3.3
      39.0       3.6
      41.0       1.1
      42.0       2.3
      43.0       1.3
      44.0      10.5
      45.0       5.8
      51.0       1.5
      58.0       2.6
      62.0       1.3
      63.0       3.3
      65.0       9.5
      89.0       5.1
      90.0       1.7
      91.0     100.0
      92.0       7.7
     116.0       1.6
     117.0       3.7
     118.0       3.5
     145.0       6.0
     146.0      12.5
     147.0       1.6
     235.0      10.5
     236.0       9.0
     237.0       2.1
     280.0       2.3
     281.0       1.0

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₈ H₂₀ N₂ O	0.038 g : 0.5 ml DMSO-d₆
5-benzyloxy-3-(dimethylaminomethyl)indole

    Assign.     Shift(ppm)

      A            10.8
      B             7.470
      C             7.375
      D             7.309
      E             7.254
      F             7.185
      G             7.162
      J             6.813
      K             5.067
      L             3.485
      M             2.130

     Hz     ppm     Int.

   4309.72  10.784     66
   4308.81  10.782     67
   4308.26  10.781     65
   2989.83   7.482    113
   2982.50   7.463    165
   2955.21   7.395     81
   2948.06   7.377    164
   2940.55   7.358     96
   2926.45   7.323     64
   2919.31   7.305     74
   2903.92   7.267    109
   2895.13   7.245    121
   2872.78   7.189    114
   2870.77   7.184    116
   2863.63   7.166    111
   2861.43   7.160    107
   2728.45   6.828     68
   2726.07   6.822     65
   2719.66   6.806     62
   2717.27   6.800     60
   2025.09   5.068    326
   1392.98   3.486    293
    851.36   2.131   1000

DMSO-d6