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6342-56-9

1,1-二甲氧基丙酮(6342-56-9)核磁图(13CNMR)

分子式:C5H10O3

分子量: 118.13

InChI:InChI=1S/C5H10O3/c1-4(6)5(7-2)8-3/h5H,1-3H3

InChIKey: ULVSHNOGEVXRDR-UHFFFAOYSA-N

Smiles:C(OC)(OC)C(=O)C

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    Mass

    MS-NW-8331          
    pyruvaldehyde dimethyl acetal
    C5H10O3             (Mass of molecular ion:    118)
    

       Source Temperature: 250 °C
       Sample Temperature: 130 °C
       Reservoir, 75 eV
    

          14.0       1.1
          15.0      12.8
          27.0       1.5
          28.0       2.5
          29.0      11.4
          31.0      23.5
          42.0       1.9
          43.0      20.5
          44.0       1.8
          45.0       7.3
          47.0      35.9
          59.0      13.1
          72.0       1.0
          75.0     100.0
          76.0       3.4
          87.0      12.4
    

parameter in CDCl3

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    1H NMR 300 MHz
    C5 H10 O3 0.05 ml : 0.5 ml CDCl3
    pyruvaldehyde dimethyl acetal
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 4.454 D(B) 3.422 D(C) 2.188

         Hz     ppm     Int.
    

       1336.20   4.454    167
       1026.59   3.422   1000
        656.40   2.188    500
    

in CDCl3

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liquid film

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