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175136-99-9

2-氯-3-甲氧基丙脒盐酸盐(175136-99-9)红外图谱(IR1)

分子式:C4H10Cl2N2O

分子量: 173.04

InChI:InChI=1S/C4H9ClN2O.ClH/c1-8-2-3(5)4(6)7;/h3H,2H2,1H3,(H3,6,7);1H

InChIKey: SFVRDLNUUFHMJI-UHFFFAOYSA-N

Smiles:C(N)(=N)C(Cl)COC.[H]Cl

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    Mass

    MS-IW-2760          
    2-chloro-3-methoxypropionamidine hydrochloride
    C4H9ClN2O HCl       (Mass of molecular ion:    136)
    

       Source Temperature: 150 °C
       Sample Temperature: 130 °C
       Direct, 75 eV
    

          15.0       4.0
          17.0       1.1
          18.0       4.8
          26.0       1.1
          27.0       4.2
          28.0       6.7
          29.0       4.5
          30.0       9.9
          31.0       3.1
          33.0       2.6
          35.0       3.8
          36.0      32.3
          37.0       1.3
          38.0      11.0
          40.0       1.0
          41.0       2.4
          42.0       7.8
          43.0      55.7
          44.0       2.8
          45.0      29.6
          49.0       1.2
          52.0       2.3
          54.0       4.5
          58.0       2.5
          59.0       1.2
          60.0       5.5
          61.0       1.0
          62.0      16.6
          63.0       1.0
          64.0       6.4
          68.0       1.4
          69.0      17.4
          70.0       1.5
          71.0      14.3
          75.0       2.1
          76.0       1.3
          78.0       1.1
          84.0      27.9
          85.0       4.6
          86.0       1.3
          88.0       1.2
         101.0     100.0
         102.0       5.3
         104.0       2.9
         105.0       1.4
         106.0       1.1
    

400 MHz in DMSO-d6

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    1H NMR 399.65 MHz
    C4 H9 Cl N2 O 0.044 g : 0.5 ml DMSO-d6
    2-chloro-3-methoxypropionamidine hydrochloride
    ChemicalStructure
        Assign.     Shift(ppm)
    A *1 9.70 B *1 9.44 C 5.176 D *2 3.946 E *2 3.818 F 3.348 J(D,E)=-11.0HZ J(C,D)=7.5HZ J(C,E)=6.1HZ

         Hz     ppm     Int.
    

       3877.87   9.704     72
       3772.43   9.440     69
       2075.50   5.194     42
       2069.24   5.178     65
       2068.18   5.175     59
       2062.07   5.160     45
       1587.37   3.972     48
       1579.90   3.954     49
       1576.39   3.945     69
       1569.06   3.927     66
       1533.81   3.838     66
       1527.71   3.823     70
       1522.98   3.811     54
       1516.88   3.796     47
       1338.04   3.349   1000
    

in DMSO-d6

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KBr disc

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nujol mull

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