111-46-6

二乙二醇(111-46-6)质谱(MS)

产品名称:二乙二醇

CAS:111-46-6

分子式:C4H10O3

分子量: 106.12

InChI:InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2

InChIKey: MTHSVFCYNBDYFN-UHFFFAOYSA-N

Smiles:O(CCO)CCO

Mass

MS-NW-5521          
2,2'-oxydiethanol
C4H10O3             (Mass of molecular ion:    106)

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

      15.0       4.6
      18.0       1.9
      19.0       6.8
      26.0       1.1
      27.0      10.6
      28.0       4.3
      29.0       9.8
      31.0      10.9
      42.0       1.5
      43.0      10.0
      44.0      10.2
      45.0     100.0
      46.0       2.8
      47.0       1.9
      58.0       1.6
      75.0      23.9
      76.0      11.7

90 MHz in CDCl3

400 MHz in CDCl3

¹H NMR	89.56 MHz
C₄ H₁₀ O₃	0.04 ml : 0.5 ml CDCl₃
2,2'-oxydiethanol

    Assign.     Shift(ppm)

      A             4.47
      B             3.718
      C             3.596
     
     400MHZ : HSP-40-503

     Hz     ppm     Int.

    400.13   4.468   1000
    339.81   3.795     75
    338.19   3.777     96
    336.50   3.758    108
    335.31   3.744    142
    334.19   3.732    151
    332.94   3.718    188
    330.75   3.694    333
    330.06   3.686    349
    325.25   3.632    333
    324.56   3.624    350
    322.38   3.600    199
    321.13   3.586    155
    320.00   3.574    153
    318.81   3.560    115
    317.13   3.541    104
    315.50   3.523     83

¹H NMR	399.65 MHz
C₄ H₁₀ O₃	0.04 ml : 0.5 ml CDCl₃
2,2'-oxydiethanol

    Assign.     Shift(ppm)

      A             4.51
      B             3.74
      C             3.596
     
     90MHZ : HSP-03-854

     Hz     ppm     Int.

   1803.59   4.513    201
   1494.14   3.739    409
   1458.86   3.651     28
   1440.92   3.606   1000
   1439.45   3.602    349
   1437.74   3.598    553
   1436.28   3.594    731
   1435.42   3.592    559
   1433.59   3.588    259
   1432.01   3.584    634

in CDCl3