36887-04-4

甘油单甲醚(36887-04-4)Raman光谱

产品名称:甘油单甲醚

CAS:36887-04-4

分子式:C4H10O3

分子量: 106.12

InChI:InChI=1S/C4H10O3/c1-7-3-4(6)2-5/h4-6H,2-3H2,1H3

InChIKey: PSJBSUHYCGQTHZ-UHFFFAOYSA-N

Smiles:C(O)(CO)COC

Mass

MS-NW-2950          
3-methoxy-1,2-propanediol
C4H10O3             (Mass of molecular ion:    106)

   Source Temperature: 270 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      14.0       1.0
      15.0      21.2
      18.0       2.2
      19.0       2.8
      26.0       1.0
      27.0       4.9
      28.0       4.6
      29.0      13.8
      30.0       1.4
      31.0      22.4
      32.0       1.1
      33.0      10.8
      42.0       2.7
      43.0      43.0
      44.0      32.9
      45.0     100.0
      46.0       4.0
      47.0       5.1
      55.0       1.1
      56.0       1.5
      57.0       3.2
      58.0       2.5
      59.0       1.4
      60.0       6.8
      61.0      21.5
      63.0       2.0
      71.0       1.1
      74.0       4.2
      75.0      35.7
      76.0       8.5
      87.0       1.1
      88.0       4.6

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₄ H₁₀ O₃	9.7 mol% in CDCl₃
3-methoxy-1,2-propanediol

    Assign.     Shift(ppm)

      A             3.379
      B     *1      3.46
      C     *1      3.41
      D     *2      3.56
      E     *2      3.65
      F             3.86
      G             3.95

     Hz     ppm     Int.

    353.31   3.945    197
    347.31   3.878     28
    345.31   3.856     23
    341.44   3.813     24
    340.56   3.803     23
    326.44   3.645     85
    324.94   3.629     94
    322.94   3.606     69
    318.75   3.560     49
    315.56   3.524     28
    310.13   3.463    212
    306.94   3.428     32
    305.06   3.407    136
    302.63   3.380   1000

in CDCl3