58-33-3

盐酸异丙嗪(58-33-3)质谱(MS)

产品名称:盐酸异丙嗪

CAS:58-33-3

分子式:C17H21ClN2S

分子量: 320.88

InChI:InChI=1S/C17H20N2S.ClH/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19;/h4-11,13H,12H2,1-3H3;1H

InChIKey: XXPDBLUZJRXNNZ-UHFFFAOYSA-N

Smiles:N1(CC(C)N(C)C)C2C=CC=CC=2SC2=CC=CC=C12.Cl

Mass

MS-IW-3280          
10-(2-(dimethylamino)propyl)phenothiazine hydrochloride
C17H20N2S HCl       (Mass of molecular ion:    284)

   Source Temperature: 150 °C
   Sample Temperature: 100 °C
   Direct, 75 eV

      36.0       3.0
      38.0       1.0
      42.0       1.4
      44.0       1.7
      56.0       1.2
      70.0       1.3
      71.0       1.0
      72.0     100.0
      73.0       5.6
     180.0       2.3
     198.0       3.1
     212.0       1.2
     213.0       3.5
     284.0       8.2
     285.0       1.6

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₇ H₂₀ N₂ S	0.042 g : 0.5 ml CDCl₃
10-(2-(dimethylamino)propyl)phenothiazine hydrochloride

    Assign.     Shift(ppm)

      A            12.6
      B             7.23
      C             7.21
      D             7.095
      E             7.001
      F     *1      4.720
      G     *1      3.934
      J             3.705
      K             2.779
      L             1.495
     
     J(F,G)=14.1HZ
     J(F,J)=5.7HZ
     J(G,J)=7.3HZ

     Hz     ppm     Int.

   2901.17   7.260    205
   2899.71   7.256    268
   2893.85   7.241    305
   2893.11   7.240    362
   2892.38   7.238    424
   2891.65   7.236    447
   2886.70   7.224    589
   2885.60   7.221    618
   2884.32   7.218    509
   2879.01   7.204    679
   2877.73   7.201    479
   2839.45   7.105    456
   2838.71   7.103    486
   2831.39   7.085    377
   2830.66   7.083    370
   2805.74   7.021    370
   2804.65   7.018    361
   2801.53   7.010     32
   2800.98   7.009     34
   2798.23   7.002    533
   2797.32   7.000    493
   2792.56   6.988     30
   2790.72   6.983    290
   2789.63   6.981    268
   1896.87   4.747    115
   1891.19   4.733    124
   1882.77   4.712    129
   1877.09   4.697    131
   1583.29   3.962    126
   1575.96   3.944    150
   1569.19   3.927    121
   1561.86   3.909    141
   1490.43   3.730     71
   1483.65   3.713    116
   1477.79   3.698    114
   1471.01   3.681     66
   1110.72   2.780    800
    601.15   1.505   1000
    594.38   1.488    987

in CDCl3