ChemicalBook
English   Japanese   Germany   Korea

123-76-2

乙酰丙酸(123-76-2)质谱(MS)

产品名称:乙酰丙酸

CAS:123-76-2

分子式:C5H8O3

分子量: 116.12

InChI:InChI=1S/C5H8O3/c1-4(6)2-3-5(7)8/h2-3H2,1H3,(H,7,8)

InChIKey: JOOXCMJARBKPKM-UHFFFAOYSA-N

Smiles:C(O)(=O)CCC(=O)C

  • 图谱
    Mass

    MS-NW-0460          
    4-oxovaleric acid
    C5H8O3              (Mass of molecular ion:    116)
    

       Source Temperature: 260 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          14.0       1.0
          15.0       5.9
          18.0       2.9
          26.0       1.9
          27.0       7.8
          28.0       4.5
          29.0       7.9
          31.0       1.0
          39.0       1.5
          41.0       1.2
          42.0       4.6
          43.0     100.0
          44.0       2.6
          45.0       6.5
          55.0       9.2
          56.0      27.9
          57.0       1.9
          61.0       1.4
          71.0       2.1
          73.0       5.9
          74.0       1.6
          98.0       1.5
          99.0       2.2
         101.0       3.1
         116.0       2.4
    

400 MHz in CDCl3

  • 图谱

    1H NMR 399.65 MHz
    C5 H8 O3 0.05 ml : 0.5 ml CDCl3
    4-oxovaleric acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 10.4 B 2.773 C 2.613 D 2.205

         Hz     ppm     Int.
    

       1114.65   2.790    168
       1108.40   2.774    318
       1101.68   2.757    237
       1051.33   2.631    332
       1045.68   2.617    258
       1044.62   2.614    425
       1038.36   2.599    202
        881.35   2.206   1000
    

in CDCl3

  • 图谱

liquid film

  • 图谱

  • 图谱

×