Pentaethylene glycol(4792-15-8) MS

Product NamePentaethylene glycol

CAS 4792-15-8

Molecular FormulaC10H22O6

Molecular Weight238.28

InChIInChI=1S/C10H22O6/c11-1-3-13-5-7-15-9-10-16-8-6-14-4-2-12/h11-12H,1-10H2

InChIKey JLFNLZLINWHATN-UHFFFAOYSA-N

SmilesC(O)COCCOCCOCCOCCO

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Pentaethylene glycol(4792-15-8) MS
Mass

MS-IW-1128          
pentaethylene glycol
C10H22O6            (Mass of molecular ion:    238)

   Source Temperature: 230 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      15.0       1.7
      17.0       1.4
      18.0       6.8
      19.0       3.2
      27.0       4.1
      28.0       5.8
      29.0       4.3
      30.0       1.0
      31.0       6.0
      41.0       1.1
      42.0       1.4
      43.0       8.9
      44.0      16.2
      45.0     100.0
      46.0       3.3
      57.0       1.8
      58.0      12.8
      59.0      13.8
      60.0       1.0
      61.0       1.1
      70.0       1.3
      71.0       1.0
      72.0       3.3
      73.0       4.6
      75.0       4.9
      77.0       3.7
      80.0       2.0
      82.0       2.0
      86.0       1.2
      87.0      22.7
      88.0      11.8
      89.0      58.9
      90.0       3.2
     101.0       3.8
     102.0       3.0
     103.0       5.6
     119.0       3.0
     121.0       1.6
     131.0       1.8
     133.0       6.9
     163.0       1.4

90 MHz in CDCl3

Pentaethylene glycol(4792-15-8) MS

¹H NMR	89.56 MHz
C₁₀ H₂₂ O₆	0.05 ml : 0.5 ml CDCl₃
pentaethylene glycol

    Assign.     Shift(ppm)

      A             3.65
      B          3.62 to 3.57
      C             3.24

     Hz     ppm     Int.

    327.13   3.653   1000
    322.25   3.599    102
    320.31   3.577     73
    317.63   3.547     45
    315.19   3.520     30
    290.38   3.243     47

in CDCl3