94-62-2

胡椒碱(94-62-2)Raman光谱

分子式:C17H19NO3

分子量: 285.34

InChI:InChI=1S/C17H19NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h2-3,6-9,12H,1,4-5,10-11,13H2/b6-2+,7-3+

InChIKey: MXXWOMGUGJBKIW-YPCIICBESA-N

Smiles:C(N1CCCCC1)(=O)/C=C/C=C/C1=CC=C2OCOC2=C1

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₇ H₁₉ N O₃	0.034 g : 0.5 ml CDCl₃
trans,trans-5-(1,3-benzodioxol-5-yl)-1-piperidino-2,4-pentadien-1-one

    Assign.     Shift(ppm)

      A             7.404
      B             6.979
      C             6.887
      D             6.778
      E             6.75
      F             6.737
      G             6.444
      J             5.971
      K             3.58
      L             1.66
      M             1.58

     Hz     ppm     Int.

   2971.68   7.436     43
   2969.48   7.431     41
   2963.75   7.416     41
   2961.43   7.411     48
   2957.03   7.400     47
   2954.35   7.393     39
   2949.46   7.381     42
   2946.78   7.374     48
   2790.16   6.982    186
   2788.57   6.978    203
   2757.81   6.901     94
   2756.10   6.897     87
   2749.76   6.881    130
   2748.05   6.877    124
   2711.91   6.786    258
   2703.86   6.766    190
   2697.63   6.750    380
   2695.31   6.745    144
   2689.94   6.731    138
   2581.79   6.461    191
   2567.14   6.424    137
   2386.47   5.972   1000
   1451.66   3.633     54
   1451.29   3.632     54
   1450.68   3.630     54
   1450.20   3.629     54
   1449.46   3.627     54
   1448.85   3.626     53
   1446.90   3.621     51
   1445.92   3.618     49
   1442.99   3.611     42
   1441.89   3.608     40
   1440.67   3.605     38
   1437.26   3.597     32
   1435.79   3.593     31
   1435.18   3.592     30
   1434.69   3.590     30
   1434.33   3.589     30
   1433.84   3.588     30
   1428.34   3.574     30
   1427.98   3.574     30
   1427.25   3.572     30
   1424.93   3.566     32
   1423.83   3.563     34
   1423.46   3.562     34
   1421.51   3.557     37
   1415.77   3.543     49
   1413.57   3.538     52
   1412.72   3.535     53
   1412.23   3.534     53
   1411.01   3.531     53
   1410.40   3.530     53
   1409.67   3.528     53
   1407.35   3.522     49
    673.10   1.685     42
    671.02   1.680     44
    665.77   1.666     85
    660.77   1.654     91
    657.84   1.647     62
    655.76   1.641     62
    643.43   1.610     83
    638.18   1.597    154
    633.18   1.585    190
    627.81   1.571    105
    622.31   1.558     43

CCl4 solution