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13059-60-4

甘氨酰甘氨酸盐酸盐(13059-60-4)红外图谱(IR2)

分子式:C4H9ClN2O3

分子量: 168.58

InChI:InChI=1S/C4H8N2O3.ClH/c5-1-3(7)6-2-4(8)9;/h1-2,5H2,(H,6,7)(H,8,9);1H

InChIKey: YHBAZQDEMYQPJL-UHFFFAOYSA-N

Smiles:C(=O)(CN)NCC(=O)O.Cl

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    Mass

    MS2003-02096WA      
    glycylglycine hydrochloride
    C4H8N2O3 HCl H2O    (Mass of molecular ion:    132)
    

       Source Temperature: 250 °C
       Sample Temperature: 145 °C
       Direct, 70 eV
       comment:  Pattern varies. Initial pattern is recorded.
    

          17.0       1.2
          18.0       5.0
          27.0       1.4
          28.0      15.9
          29.0       6.5
          30.0     100.0
          31.0       2.6
          35.0       4.1
          36.0      22.1
          37.0       1.4
          38.0       7.5
          42.0       6.8
          43.0       4.8
          44.0       2.0
          45.0       2.3
          56.0       5.0
          57.0       1.3
          58.0       1.4
          59.0       1.3
          71.0      13.2
          74.0       1.6
          85.0       1.1
          86.0       2.5
          87.0       1.1
          89.0       2.1
         104.0       5.2
         114.0      27.5
         115.0       1.5
         132.0       3.0
    

90 MHz in D2O

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    1H NMR 89.56 MHz
    C4 H8 N2 O3 0.042 g : 0.5 ml D2O
    glycylglycine hydrochloride
    ChemicalStructure
        Assign.     Shift(ppm)
    B 4.062 C 3.905 THE SOLVENT SIGNAL REMOVED.

         Hz     ppm     Int.
    

        363.84   4.063    744
        349.83   3.907   1000
    

in D2O

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KBr disc

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nujol mull

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