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503-66-2

3-羟基丙酸(503-66-2)核磁图(1HNMR)

产品名称:3-羟基丙酸

CAS:503-66-2

分子式:C3H6O3

分子量: 90.08

InChI:InChI=1S/C3H6O3/c4-2-1-3(5)6/h4H,1-2H2,(H,5,6)

InChIKey: ALRHLSYJTWAHJZ-UHFFFAOYSA-N

Smiles:C(O)(=O)CCO

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    Mass

    MS-NW-5070          
    3-hydroxypropionic acid
    C3H6O3              (Mass of molecular ion:     90)
    

       Source Temperature: 260 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          25.0       2.8
          26.0      16.7
          27.0      39.1
          28.0      20.0
          29.0      26.5
          30.0       8.9
          31.0      47.3
          32.0       2.4
          36.0       2.8
          41.0       4.4
          42.0      72.6
          43.0      57.1
          44.0      25.3
          45.0      35.9
          46.0       2.4
          47.0       3.2
          53.0       2.0
          54.0       1.2
          55.0      39.1
          56.0       2.8
          60.0     100.0
          61.0       4.0
          71.0      16.7
          72.0      54.6
          73.0      39.5
          74.0       2.4
          86.0       1.6
          89.0       5.3
          90.0       2.0
          91.0       5.7
         114.0       5.7
         116.0       1.6
         132.0       1.6
    

parameter in D2O

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    1H NMR 300 MHz
    C3 H6 O3 0.04 ml : 0.5 ml D2O
    3-hydroxypropionic acid
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 3.831 D(B) 2.605 J(A,B) 6.0

         Hz     ppm     Int.
    

       1155.34   3.851    487
       1149.36   3.831    998
       1143.36   3.811    520
        787.45   2.625    520
        781.46   2.605   1000
        775.46   2.585    487
    

in D2O

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ca 50% H2O solution

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4880 A,200 M,liquid

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