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306-67-2

精胺四盐酸盐(306-67-2)Raman光谱

产品名称:精胺四盐酸盐

CAS:306-67-2

分子式:C10H30Cl4N4

分子量: 348.18

InChI:InChI=1S/C10H26N4.4ClH/c11-5-3-9-13-7-1-2-8-14-10-4-6-12;;;;/h13-14H,1-12H2;4*1H

InChIKey: XLDKUDAXZWHPFH-UHFFFAOYSA-N

Smiles:C(CNCCCN)CCNCCCN.Cl.Cl.Cl.Cl

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    Mass

    MS-IW-3653          
    N,N'-bis(3-aminopropyl)tetramethylenediamine tetrahydrochloride
    C10H26N4 4HCl       (Mass of molecular ion:    202)
    

       Source Temperature: 160 °C
       Sample Temperature: 180 °C
       Direct, 75 eV
    

          17.0       1.0
          18.0       6.4
          27.0       2.1
          28.0      12.0
          29.0       5.3
          30.0      49.2
          31.0       1.9
          35.0      14.5
          36.0      83.9
          37.0       5.0
          38.0      38.7
          39.0       2.2
          41.0      13.0
          42.0      17.7
          43.0      14.0
          44.0      86.5
          45.0       8.7
          46.0       2.6
          53.0       1.0
          54.0       2.3
          55.0      11.8
          56.0      23.7
          57.0      88.4
          58.0      30.4
          59.0       3.5
          60.0       4.4
          68.0       6.0
          69.0       2.7
          70.0      50.9
          71.0       9.6
          72.0      32.7
          73.0       4.4
          74.0      12.9
          75.0       2.9
          82.0       4.9
          83.0       3.7
          84.0     100.0
          85.0      13.2
          86.0      12.3
          87.0      26.2
          88.0       1.6
          89.0      14.4
          96.0       2.5
          97.0       1.2
          98.0      27.0
          99.0      11.7
         100.0       4.2
         101.0       3.7
         102.0      11.0
         103.0       3.5
         110.0       3.4
         111.0       1.5
         112.0       6.9
         113.0      20.1
         114.0       2.1
         115.0       8.4
         116.0       4.9
         125.0       1.3
         126.0       1.0
         127.0      36.1
         128.0       3.6
         129.0      11.1
         130.0      13.3
         131.0       1.1
         145.0       1.1
         146.0       1.5
         158.0      25.8
         159.0       9.3
         172.0       5.9
         202.0       7.5
         203.0       1.2
    

400 MHz in D2O

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    1H NMR 399.65 MHz
    C10 H26 N4 0.045 g : 0.5 ml D2O
    N,N'-bis(3-aminopropyl)tetramethylenediamine tetrahydrochloride
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.18 B 3.12 C 2.108 D 1.800

         Hz     ppm     Int.
    

       1277.59   3.197    563
       1269.65   3.177    625
       1261.60   3.157    750
       1254.27   3.139   1000
       1246.46   3.119    982
       1238.65   3.100    696
        858.03   2.147    175
        852.29   2.133    214
        850.10   2.128    342
        848.39   2.123    242
        845.21   2.115    232
        842.29   2.108    585
        839.23   2.100    234
        836.55   2.094    227
        834.23   2.088    315
        832.64   2.084    228
        826.54   2.069    166
        727.42   1.821    246
        723.75   1.811    336
        719.97   1.802    557
        716.19   1.793    349
        712.65   1.784    259
    

in D2O

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KBr disc

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nujol mull

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