3188-00-9

2-甲基四氢呋喃-3-酮(3188-00-9)核磁图(¹³CNMR)

产品名称:2-甲基四氢呋喃-3-酮

CAS:3188-00-9

分子式:C5H8O2

分子量: 100.12

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

InChIKey: FCWYQRVIQDNGBI-UHFFFAOYSA-N

Smiles:O1CCC(=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

    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