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54897-59-5

DL-2,3-二胺基丙酸盐酸盐(54897-59-5)质谱(MS)

分子式:C3H9ClN2O2

分子量: 140.57

InChI:InChI=1S/C3H8N2O2.ClH/c4-1-2(5)3(6)7;/h2H,1,4-5H2,(H,6,7);1H

InChIKey: SKWCZPYWFRTSDD-UHFFFAOYSA-N

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

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    Mass

    MS-NW-5014          
    (+-)-2,3-diaminopropionic acid hydrochloride
    C3H8N2O2 HCl        (Mass of molecular ion:    104)
    

       Source Temperature: 200 °C
       Sample Temperature: 180 °C
       Direct, 75 eV
    

          15.0       2.5
          16.0       2.9
          17.0       4.3
          18.0      11.2
          26.0       2.0
          27.0      11.1
          28.0      35.1
          29.0      18.9
          30.0     100.0
          31.0       1.9
          35.0       6.6
          36.0      47.5
          37.0       2.1
          38.0      15.7
          39.0       1.4
          40.0       4.0
          41.0       8.0
          42.0       7.6
          43.0       6.2
          44.0       5.8
          45.0       1.4
          57.0      11.2
          58.0       1.8
          59.0       5.9
          74.0       1.1
          75.0      14.6
    

90 MHz in D2O

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    1H NMR 89.56 MHz
    C3 H8 N2 O2 saturated in D2O
    (+-)-2,3-diaminopropionic acid hydrochloride
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.01 B 3.48 SOLVENT PEAK REMOVED

         Hz     ppm     Int.
    

        368.56   4.116    183
        361.25   4.034    380
        354.44   3.958    316
        314.31   3.510   1000
        307.31   3.432    717
    

KBr disc

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nujol mull

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