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返回ChemicalBook首页>CAS数据库列表>13078-13-2更多图谱> 1-(3-甲基苯基)哌嗪二盐酸盐(13078-13-2)质谱(MS)

13078-13-2

1-(3-甲基苯基)哌嗪二盐酸盐(13078-13-2)质谱(MS)

分子式:C11H16N2.2ClH

分子量: 249.18

InChI:InChI=1S/C11H16N2.2ClH/c1-10-3-2-4-11(9-10)13-7-5-12-6-8-13;;/h2-4,9,12H,5-8H2,1H3;2*1H

InChIKey: QJNWTYUDISMTMR-UHFFFAOYSA-N

Smiles:C1(=CC=CC(C)=C1)N1CCNCC1.Cl.Cl

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    Mass

    MS-IW-2178          
    1-(m-tolyl)piperazine dihydrochloride
    C11H16N2 2HCl       (Mass of molecular ion:    176)
    

       Source Temperature: 150 °C
       Sample Temperature: 140 °C
       Direct, 75 eV
    

          17.0       1.8
          18.0       8.2
          27.0       2.0
          28.0       5.8
          29.0       4.9
          30.0       3.6
          35.0       3.4
          36.0      21.1
          37.0       1.2
          38.0       6.8
          39.0       3.5
          41.0       2.3
          42.0       3.2
          51.0       2.1
          52.0       1.0
          56.0       9.8
          57.0       5.0
          63.0       2.3
          65.0       6.8
          77.0       2.5
          78.0       1.1
          88.0       1.2
          89.0       2.1
          90.0       1.4
          91.0      15.0
          92.0       2.2
         105.0       3.7
         117.0       1.1
         118.0       9.1
         119.0      13.8
         120.0       6.7
         121.0       1.7
         132.0       1.1
         134.0     100.0
         135.0      10.3
         146.0       1.3
         175.0       1.3
         176.0      29.6
         177.0       3.8
    

400 MHz in DMSO-d6

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    1H NMR 399.65 MHz
    C11 H16 N2 0.035 g : 0.5 ml DMSO-d6
    1-(m-tolyl)piperazine dihydrochloride
    ChemicalStructure
        Assign.     Shift(ppm)
    A 9.83 B 7.245 C 7.05 D 7.021 E 6.878 F 6.10 G 3.546 J 3.321 K 2.298

         Hz     ppm     Int.
    

       3929.60   9.833     90
       2903.90   7.267     94
       2895.97   7.247    187
       2888.18   7.227    124
       2819.21   7.055    175
       2810.21   7.032    111
       2802.12   7.012     88
       2752.69   6.888    129
       2745.21   6.870    117
       2438.81   6.103    221
       1422.42   3.560    239
       1417.69   3.548    340
       1412.35   3.534    284
       1327.51   3.322    264
        918.73   2.299   1000
    

in DMSO-d6

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KBr disc

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nujol mull

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