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返回ChemicalBook首页>CAS数据库列表>86-40-8更多图谱> 氯代3,6-二氨基-10-甲基吖啶(86-40-8)核磁图(1HNMR)

氯代3,6-二氨基-10-甲基吖啶(86-40-8)核磁图(1HNMR)

分子式:C14H14ClN3

分子量: 259.73

InChI:InChI=1S/C14H13N3.ClH/c1-17-13-7-11(15)4-2-9(13)6-10-3-5-12(16)8-14(10)17;/h2-8H,1H3,(H3,15,16);1H

InChIKey: KKAJSJJFBSOMGS-UHFFFAOYSA-N

Smiles:C12C=C(C=CC1=CC1=CC=C(N)C=C1[N+]=2C)N.[Cl-]


  • Mass

    MS-NW-9108          
    3,6-diamino-10-methylacridinium chloride
    C14H14ClN3          (Mass of molecular ion:    259)
    

       Source Temperature: 210 °C
       Sample Temperature: 180 °C
       Direct, 75 eV
    

          17.0       4.8
          18.0      27.3
          27.0       1.1
          28.0       2.8
          35.0       2.7
          36.0      38.4
          38.0      12.4
          39.0       1.1
          41.0       1.4
          43.0       1.4
          44.0       4.3
          51.0       1.4
          52.0       1.0
          55.0       1.2
          57.0       2.4
          63.0       2.4
          64.0       1.1
          69.0       2.6
          70.5       1.0
          71.0       1.8
          75.0       1.0
          76.0       1.5
          76.5       1.4
          77.0       6.0
          77.5       1.2
          78.0       1.5
          81.0       1.6
          83.0       1.5
          83.5       2.9
          84.0       2.0
          85.0       1.3
          89.0       1.3
          90.0       3.2
          90.5       5.7
          91.0       6.0
          97.0       2.4
          97.5       4.0
          98.0      13.5
          98.5       2.3
         103.5       1.0
         104.0       1.4
         104.5       3.7
         105.0       2.8
         111.0       1.3
         111.5       5.0
         112.0       2.8
         112.5       2.7
         113.0       1.3
         115.0       1.2
         125.0       1.1
         126.0       1.4
         127.0       4.4
         128.0       2.5
         139.0       1.3
         140.0       2.1
         141.0       1.3
         151.0       1.4
         152.0       2.3
         153.0       4.1
         154.0       8.0
         155.0       2.7
         164.0       1.5
         165.0       1.4
         166.0       2.0
         167.0       4.0
         168.0       6.1
         169.0       1.5
         178.0       1.8
         179.0       4.2
         180.0       2.7
         181.0      47.2
         182.0      21.9
         183.0       3.0
         191.0       1.6
         192.0       1.9
         193.0       1.6
         194.0       2.5
         195.0      11.6
         196.0      71.3
         197.0      12.6
         198.0       1.1
         205.0       1.3
         206.0       3.9
         207.0       5.8
         208.0       4.0
         209.0      41.6
         210.0       6.9
         220.0       1.0
         221.0       1.4
         222.0      13.4
         223.0     100.0
         224.0      57.0
         225.0      23.2
         226.0       3.1
         237.0       2.7
    

400 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C14 H14 Cl N3 0.036 g : 0.5 ml DMSO-d6
    3,6-diamino-10-methylacridinium chloride
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.646 B 7.795 C 7.78 D 7.075 E 6.982 F 3.904

         Hz     ppm     Int.
    

       3455.69   8.647    292
       3120.12   7.808    432
       3116.46   7.798     39
       3111.08   7.785    463
       3087.89   7.727    358
       2833.25   7.090    242
       2831.67   7.086    260
       2824.46   7.068    262
       2822.75   7.064    299
       2790.77   6.984    457
       2789.79   6.981    446
       1560.42   3.905   1000
    

in DMSO-d6



KBr disc



nujol mull



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