Diethyleneglycol diacetate(628-68-2) IR1

Product NameDiethyleneglycol diacetate

CAS 628-68-2

Molecular FormulaC8H14O5

Molecular Weight190.19

InChIInChI=1S/C8H14O5/c1-7(9)12-5-3-11-4-6-13-8(2)10/h3-6H2,1-2H3

InChIKey UBPGILLNMDGSDS-UHFFFAOYSA-N

SmilesO(CCOC(=O)C)CCOC(=O)C

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Mass

MS-IW-5624          
diethylene glycol diacetate
C8H14O5             (Mass of molecular ion:    190)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       2.7
      28.0       1.7
      29.0       1.0
      42.0       2.3
      43.0      79.7
      44.0       2.9
      45.0       3.0
      58.0       1.1
      61.0       2.1
      70.0       2.2
      73.0       2.0
      87.0     100.0
      88.0       5.4
     117.0       3.4

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₁₄ O₅	0.04 ml : 0.5 ml CDCl₃
diethylene glycol diacetate

    Assign.     Shift(ppm)

      A             2.084
      B             3.71
      C             4.23

     Hz     ppm     Int.

    383.75   4.285     71
    382.44   4.271     32
    379.19   4.234     94
    377.50   4.216     53
    376.81   4.208     37
    374.19   4.179    126
    336.00   3.752    138
    333.56   3.725     45
    332.75   3.716     68
    331.19   3.698    101
    330.31   3.689     76
    329.50   3.680     44
    326.75   3.649     79
    326.38   3.645     77
    186.69   2.085   1000

in CDCl3