Triethylene glycol monoethyl ether(112-50-5) IR1

Product NameTriethylene glycol monoethyl ether

CAS 112-50-5

Molecular FormulaC8H18O4

Molecular Weight178.23

InChIInChI=1S/C8H18O4/c1-2-10-5-6-12-8-7-11-4-3-9/h9H,2-8H2,1H3

InChIKey WFSMVVDJSNMRAR-UHFFFAOYSA-N

SmilesC(O)COCCOCCOCC

Request For Quotation

Mass

MS-NW-4268          
3,6,9-trioxa-1-undecanol
C8H18O4             (Mass of molecular ion:    178)

   Source Temperature: 250 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       2.4
      18.0       1.1
      19.0       2.1
      27.0       6.1
      28.0       4.9
      29.0       7.8
      31.0      14.9
      43.0       6.9
      44.0       8.5
      45.0     100.0
      46.0       2.3
      58.0       2.9
      59.0      20.0
      60.0       1.4
      72.0      19.0
      73.0      16.7
      75.0       3.0
      76.0       1.0
      87.0       2.5
      88.0       3.5
      89.0      12.2
     101.0       1.2
     103.0       4.4
     116.0       1.1
     119.0       1.5

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₁₈ O₄	0.04 ml : 0.5 ml CDCl₃
3,6,9-trioxa-1-undecanol

    Assign.     Shift(ppm)

      A          3.84 to 3.52
      B             3.54
      C             2.93
      D             1.218

     Hz     ppm     Int.

    337.88   3.773     48
    337.00   3.763     45
    334.88   3.740     68
    333.69   3.726     91
    332.69   3.715    101
    329.25   3.677   1000
    326.94   3.651    333
    325.56   3.636    355
    324.56   3.624    340
    323.31   3.610    201
    322.50   3.601    107
    320.19   3.576    201
    317.94   3.551     37
    313.00   3.495    164
    306.13   3.419     60
    262.63   2.933    229
    115.69   1.292    178
    108.75   1.215    376
    101.75   1.137    152

in CDCl3