123-34-2

甘油烯丙基醚(123-34-2)红外图谱(IR2)

产品名称:甘油烯丙基醚

CAS:123-34-2

分子式:C6H12O3

分子量: 132.16

InChI:InChI=1S/C6H12O3/c1-2-3-9-5-6(8)4-7/h2,6-8H,1,3-5H2

InChIKey: PAKCOSURAUIXFG-UHFFFAOYSA-N

Smiles:C(O)C(O)COCC=C

Mass

MS-NW-1228          
3-allyloxy-1,2-propanediol
C6H12O3             (Mass of molecular ion:    132)

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

      15.0       9.9
      18.0       1.6
      19.0       5.9
      26.0       1.4
      27.0       7.9
      28.0       4.0
      29.0       9.2
      30.0       1.6
      31.0      22.5
      38.0       1.0
      39.0      16.9
      40.0       2.7
      41.0     100.0
      42.0      11.9
      43.0      34.7
      44.0      11.9
      45.0       8.8
      55.0       5.8
      56.0       4.8
      57.0      22.3
      58.0      23.8
      59.0       3.5
      60.0       2.5
      61.0      33.8
      69.0       1.7
      71.0      19.2
      72.0       2.4
      73.0       2.7
      74.0       6.8
      75.0       6.7
      83.0       5.9
      84.0       3.4
     101.0       5.6

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₆ H₁₂ O₃	0.04 ml : 0.5 ml CDCl₃
3-allyloxy-1,2-propanediol

    Assign.     Shift(ppm)

      A             5.884
      B             5.28
      C             5.20
      D             4.020
      E             3.84
      F     *1      3.66
      G     *1      3.60
      J     *1      3.521
      K     *1      3.46
      L             3.35

     Hz     ppm     Int.

    549.25   6.133     49
    543.69   6.071     99
    539.31   6.022     66
    538.19   6.010     58
    533.69   5.960    123
    531.94   5.940     88
    528.38   5.900     66
    526.31   5.877    170
    521.94   5.828    117
    520.88   5.816    102
    516.38   5.766    220
    511.00   5.706    129
    482.50   5.388     83
    481.00   5.371    208
    480.31   5.363    183
    479.00   5.349    308
    477.63   5.334    148
    472.25   5.274    136
    471.06   5.260    283
    470.00   5.248    199
    469.06   5.238    173
    467.94   5.225     86
    465.13   5.194     67
    463.69   5.178    153
    462.25   5.162    170
    461.63   5.155    207
    461.13   5.149    221
    460.19   5.139    211
    459.06   5.126    181
    457.94   5.114     91
    363.81   4.063    422
    362.69   4.050    604
    361.31   4.035    344
    358.38   4.002    372
    357.13   3.988    573
    355.75   3.973    324
    327.63   3.659    345
    315.31   3.521   1000
    310.63   3.469    489
    309.75   3.459    407

in CDCl3