HEXAMETHYLENE OXIDE(592-90-5) IR2

Product NameHEXAMETHYLENE OXIDE

CAS 592-90-5

Molecular FormulaC6H12O

Molecular Weight100.16

InChIInChI=1S/C6H12O/c1-2-4-6-7-5-3-1/h1-6H2

InChIKey UHHKSVZZTYJVEG-UHFFFAOYSA-N

SmilesO1CCCCCC1

Request For Quotation

Mass

MS-NW-1237          
oxepane
C6H12O              (Mass of molecular ion:    100)

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

      15.0       1.4
      18.0       1.8
      26.0       1.3
      27.0      11.5
      28.0       3.2
      29.0       8.2
      31.0       3.6
      39.0      11.9
      40.0       3.8
      41.0      27.6
      42.0     100.0
      43.0      10.0
      44.0       2.5
      45.0       5.6
      53.0       2.2
      54.0       8.0
      55.0      31.9
      56.0       3.6
      57.0       5.4
      58.0       3.8
      67.0      16.6
      68.0      17.1
      69.0       9.2
      70.0      11.1
      71.0       5.0
      72.0       6.5
      81.0       2.7
      82.0       5.8
      99.0       1.9
     100.0      22.1
     101.0       1.4

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₆ H₁₂ O	0.04 ml : 0.5 ml CDCl₃
oxepane

    Assign.     Shift(ppm)

      A             3.69
      B          1.89 to 1.47

     Hz     ppm     Int.

    338.50   3.780     34
    335.13   3.742    192
    333.81   3.728    213
    330.25   3.688    434
    326.94   3.651    167
    324.69   3.626    308
    164.50   1.837     34
    163.06   1.821     46
    158.81   1.774    106
    156.19   1.744    153
    154.94   1.731    187
    147.31   1.645   1000
    146.56   1.637    963
    141.44   1.580     84
    139.31   1.556     50
    136.75   1.527     27

in CDCl3