136-47-0

鹽酸丁卡因(136-47-0)核磁圖(¹³CNMR)

產(chǎn)品名稱:鹽酸丁卡因

CAS:136-47-0

分子式:C15H25ClN2O2

分子量: 300.82

InChI:InChI=1S/C15H24N2O2.ClH/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3;/h6-9,16H,4-5,10-12H2,1-3H3;1H

InChIKey: PPWHTZKZQNXVAE-UHFFFAOYSA-N

Smiles:C1(C=CC(NCCCC)=CC=1)C(=O)OCCN(C)C.Cl

Mass

MS-IW-9302          
2-(dimethylamino)ethyl p-(butylamino)benzoate monohydrochloride
C15H24N2O2 HCl      (Mass of molecular ion:    264)

   Source Temperature: 150 °C
   Sample Temperature: 130 °C
   Direct, 75 eV

      28.0       1.5
      29.0       1.9
      30.0       1.9
      36.0       6.8
      38.0       2.2
      41.0       1.3
      42.0       3.0
      43.0       2.2
      44.0       1.3
      56.0       2.4
      57.0       1.4
      58.0     100.0
      59.0       3.6
      65.0       1.7
      70.0       1.0
      71.0      76.6
      72.0       8.0
      77.0       1.1
      92.0       3.3
     104.0       1.2
     105.0       4.2
     106.0       1.2
     120.0       1.0
     150.0       7.0
     176.0       8.5
     177.0       1.1
     193.0       4.4

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₅ H₂₄ N₂ O₂	0.041 g : 0.5 ml DMSO-d₆
2-(dimethylamino)ethyl p-(butylamino)benzoate monohydrochloride

    Assign.     Shift(ppm)

      A     *1     11.2
      B             7.794
      C     *1      6.71
      D             6.605
      E             4.535
      F             3.482
      J             3.067
      K             2.832
      L             1.537
      M             1.375
      N             0.909

     Hz     ppm     Int.

   3119.35   7.806    173
   3110.50   7.784    182
   2683.72   6.716     35
   2644.20   6.617    162
   2635.35   6.595    156
   1817.63   4.549     74
   1812.74   4.536     90
   1807.56   4.523     76
   1396.64   3.495     69
   1391.75   3.483     86
   1386.57   3.470     68
   1234.74   3.090     30
   1228.03   3.073     64
   1223.75   3.063     64
   1216.89   3.045     32
   1132.05   2.833   1000
    622.25   1.557     52
    614.78   1.539     81
    612.49   1.533     49
    607.60   1.521     63
    561.07   1.404     52
    553.44   1.385     78
    545.81   1.366     76
    538.64   1.348     43
    370.64   0.928    194
    363.31   0.910    390
    355.99   0.891    166

in DMSO-d6