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Back ChemicalBook Home>CAS DataBase List>3188-00-9More Spectrum> 2-Methyltetrahydrofuran-3-one(3188-00-9) 13C NMR

2-Methyltetrahydrofuran-3-one(3188-00-9) 13C NMR

Molecular FormulaC5H8O2

Molecular Weight100.12

InChIInChI=1S/C5H8O2/c1-4-5(6)2-3-7-4/h4H,2-3H2,1H3

InChIKey FCWYQRVIQDNGBI-UHFFFAOYSA-N

SmilesO1CCC(=O)C1C


  • Mass

    MS-IW-4055          
    2-methyl-4,5-dihydro-3(2H)-furanone
    C5H8O2              (Mass of molecular ion:    100)
    

       Source Temperature: 230 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          14.0       1.7
          15.0       7.1
          18.0       1.5
          19.0       1.1
          26.0       6.6
          27.0      19.1
          28.0      55.9
          29.0      27.9
          31.0       4.8
          39.0       2.0
          41.0       2.1
          42.0      10.4
          43.0     100.0
          44.0      36.1
          45.0      34.8
          55.0       5.5
          56.0       4.7
          57.0       5.2
          58.0       4.1
          60.0       1.7
          71.0       1.6
          72.0      87.3
          73.0       6.0
          85.0       1.3
         100.0      56.3
         101.0       3.7
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C5 H8 O2 0.05 ml : 0.5 ml CDCl3
    2-methyl-4,5-dihydro-3(2H)-furanone
    ChemicalStructure
        Assign.     Shift(ppm)
    A *1 4.322 B *1 4.069 C 3.796 D *2 2.530 E *2 2.513 F 1.287

         Hz     ppm     Int.
    

       1739.01   4.352     84
       1738.40   4.350     75
       1734.01   4.339    108
       1733.28   4.337     84
       1731.32   4.333     98
       1730.83   4.331     86
       1729.61   4.328    105
       1729.00   4.327    101
       1726.32   4.320     95
       1725.71   4.319     89
       1724.85   4.316    102
       1724.12   4.315     98
       1721.68   4.308    109
       1721.19   4.307     95
       1716.92   4.297    102
       1716.31   4.295     92
       1639.04   4.102    147
       1631.35   4.082    179
       1630.37   4.080    172
       1629.64   4.078    142
       1622.68   4.061    191
       1622.19   4.060    156
       1620.73   4.056    133
       1613.28   4.037    132
       1527.83   3.823     75
       1521.00   3.806    219
       1514.16   3.789    222
       1507.32   3.772     80
       1017.82   2.547    201
       1012.21   2.533    195
       1009.89   2.527    249
       1008.91   2.525    237
       1007.32   2.521    223
       1004.76   2.515    208
       1001.22   2.506    238
        999.63   2.502    233
        517.94   1.296   1000
        515.87   1.291     62
        511.11   1.279    995
    

in CDCl3



liquid film





2-Methyltetrahydrofuran-3-one(3188-00-9) 13C NMR Atlas of Related Products

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