69-09-0

鹽酸氯丙嗪(69-09-0)核磁圖(¹³CNMR)

分子式:C17H20Cl2N2S

分子量: 355.33

InChI:InChI=1S/C17H19ClN2S.ClH/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20;/h3-4,6-9,12H,5,10-11H2,1-2H3;1H

InChIKey: FBSMERQALIEGJT-UHFFFAOYSA-N

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

Mass

MS2014-05089CW      
2-chloro-10-(3-dimethylaminopropyl)phenothiazine hydrochloride
C17H19ClN2S HCl     (Mass of molecular ion:    318)

   Source Temperature: 250 °C
   Sample Temperature:  20 °C
   Direct, 70 eV

      18.0       1.2
      30.0       2.1
      36.0       4.9
      38.0       1.7
      42.0       4.1
      43.0       1.5
      44.0       3.4
      45.0       1.1
      56.0       1.2
      57.0       1.7
      58.0     100.0
      59.0       4.7
      63.0       1.0
      69.0       1.7
      70.0       3.4
      71.0       2.0
      72.0       3.4
      84.0       4.0
      85.0      15.3
      86.0      37.7
      87.0       2.2
     108.0       1.0
     139.0       1.6
     151.0       1.1
     152.0       2.4
     153.0       2.0
     164.0       1.4
     166.0       1.1
     178.0       1.4
     179.0       1.3
     184.0       1.1
     188.0       1.9
     196.0       4.4
     197.0       4.4
     198.0       3.0
     200.0       1.8
     201.0       1.3
     204.0       1.0
     210.0       1.8
     211.0       2.2
     212.0       2.4
     213.0       1.9
     214.0       9.2
     215.0       2.0
     216.0       3.0
     223.0       2.0
     224.0       1.1
     225.0       1.8
     232.0      14.3
     233.0      15.5
     234.0       7.2
     235.0       5.7
     236.0       1.4
     237.0       1.5
     238.0       2.4
     239.0       1.1
     244.0       1.4
     245.0       1.0
     246.0       8.5
     247.0       7.3
     248.0       3.9
     249.0       2.6
     258.0       1.6
     259.0       1.8
     260.0       2.1
     272.0      32.5
     273.0      14.9
     274.0      14.1
     275.0       5.6
     276.0       1.4
     318.0      75.3
     319.0      14.8
     320.0      28.2
     321.0       5.4
     322.0       1.6

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₇ H₁₉ Cl N₂ S	0.036 g : 0.5 ml CDCl₃
2-chloro-10-(3-dimethylaminopropyl)phenothiazine hydrochloride

    Assign.     Shift(ppm)

      A             7.221
      B             7.178
      C             7.074
      D             6.996
      E             6.943
      F             6.94
      G             6.877
      J             4.051
      K             3.125
      L             2.679
      M             2.346
     
     J(A,B)=1.6HZ
     J(A,D)=7.5HZ
     J(A,F)=8.2HZ
     J(B,D)=7.7HZ
     J(B,F)=0.4HZ
     J(C,E)=8.2HZ
     J(D,F)=1.2HZ
     J(E,G)=2.1HZ

     Hz     ppm     Int.

   2895.02   7.244     31
   2893.43   7.240     38
   2887.57   7.226     46
   2886.84   7.224     48
   2886.11   7.222     54
   2885.38   7.220     54
   2879.52   7.206     44
   2877.93   7.202     53
   2873.54   7.191     62
   2872.31   7.188     58
   2865.84   7.171     79
   2864.62   7.168     65
   2831.91   7.086    128
   2823.73   7.066    172
   2803.71   7.016     45
   2802.49   7.013     54
   2796.26   6.997     63
   2796.02   6.997     63
   2795.04   6.994     68
   2788.57   6.978     39
   2787.35   6.975     38
   2779.66   6.956    108
   2777.59   6.951    152
   2776.12   6.947     64
   2771.48   6.935     80
   2769.41   6.930    130
   2768.07   6.927     56
   2749.51   6.880    111
   2747.44   6.875     98
   1625.12   4.067     54
   1619.02   4.052     99
   1612.92   4.036     56
   1257.20   3.146     56
   1251.22   3.131     39
   1249.39   3.127     53
   1246.95   3.121     37
   1241.33   3.107     62
   1070.92   2.680   1000
    944.82   2.365     32
    939.45   2.351     35
    937.01   2.345     38
    934.94   2.340     37
    929.08   2.325     30

in CDCl3