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Back ChemicalBook Home>CAS DataBase List>4984-85-4More Spectrum> PROPIOIN(4984-85-4) MS

4984-85-4

PROPIOIN(4984-85-4) MS

Product NamePROPIOIN

CAS4984-85-4

Molecular FormulaC6H12O2

Molecular Weight116.16

InChIInChI=1S/C6H12O2/c1-3-5(7)6(8)4-2/h5,7H,3-4H2,1-2H3

InChIKey SKCYVGUCBRYGTE-UHFFFAOYSA-N

SmilesCCC(=O)C(O)CC

  • PROPIOIN(4984-85-4) MS
    Mass

    MS-NW-6628          
    propioin
    C6H12O2             (Mass of molecular ion:    116)
    

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

          15.0       1.2
          18.0       1.4
          26.0       2.0
          27.0      10.9
          28.0       3.6
          29.0      27.9
          30.0       1.3
          31.0      42.6
          39.0       3.7
          41.0      20.6
          42.0       1.4
          43.0       3.1
          45.0       1.9
          55.0       2.1
          56.0       1.8
          57.0      41.8
          58.0      23.1
          59.0     100.0
          60.0       3.5
          69.0       2.4
          73.0       1.6
          74.0       1.1
          87.0       1.5
         116.0       2.3
    

400 MHz in CDCl3

  • PROPIOIN(4984-85-4) MS

    1H NMR 399.65 MHz
    C6 H12 O2 0.05 ml : 0.5 ml CDCl3
    propioin
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.191 B *1 2.55 C *1 2.48 D *2 1.894 E *2 1.628 F 1.113 G 0.938

         Hz     ppm     Int.
    

       1680.54   4.206    134
       1676.39   4.195    138
       1673.58   4.188    139
       1669.43   4.178    131
       1034.06   2.588     53
       1033.69   2.587     53
       1026.73   2.570     59
       1023.19   2.561     67
       1019.41   2.551     35
       1016.11   2.543    174
       1008.79   2.525    191
       1002.69   2.509    166
       1002.20   2.508    177
        995.36   2.491    165
        995.00   2.490    170
        991.58   2.482     30
        988.16   2.473     63
        987.67   2.472     66
        984.38   2.464     56
        977.54   2.446     49
        977.05   2.445     52
        770.87   1.929     68
        766.72   1.919     69
        764.16   1.913     47
        763.43   1.911     79
        759.28   1.900     81
        756.71   1.894     94
        755.98   1.892     57
        752.56   1.884     88
        749.27   1.875     90
        745.12   1.865     85
        741.70   1.856     37
        737.67   1.846     32
        671.39   1.680     31
        664.18   1.662     93
        656.98   1.644    140
        649.90   1.627    157
        642.70   1.609    120
        635.62   1.591     74
        452.03   1.132    614
        444.70   1.113   1000
        437.38   1.095    556
        381.96   0.956    548
        374.63   0.938    913
        367.07   0.919    473
    

in CDCl3

  • PROPIOIN(4984-85-4) MS

liquid film

  • PROPIOIN(4984-85-4) MS

4880 A,200 M,liquid

  • PROPIOIN(4984-85-4) MS

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