1,4-Benzodioxan(493-09-4) IR1

Product Name1,4-Benzodioxan

CAS 493-09-4

Molecular FormulaC8H8O2

Molecular Weight136.15

InChIInChI=1S/C8H8O2/c1-2-4-8-7(3-1)9-5-6-10-8/h1-4H,5-6H2

InChIKey BNBQRQQYDMDJAH-UHFFFAOYSA-N

SmilesO1C2=CC=CC=C2OCC1

Request For Quotation

Mass

MS-NW-7388          
1,4-benzodioxane
C8H8O2              (Mass of molecular ion:    136)

   Source Temperature: 220 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      26.0       4.1
      27.0       3.6
      29.0       1.2
      37.0       1.2
      38.0       2.8
      39.0       2.6
      43.0       1.5
      50.0       9.0
      51.0      11.2
      52.0      40.9
      53.0       3.8
      54.0       1.7
      62.0       1.6
      63.0       5.9
      64.0       4.3
      65.0       2.4
      68.0       1.8
      74.0       1.7
      75.0       1.1
      76.0       1.9
      77.0       3.0
      78.0       1.0
      79.0       1.6
      80.0      81.7
      81.0       7.6
      92.0       1.2
     107.0       1.5
     108.0      15.7
     109.0       2.4
     110.0       3.5
     121.0      16.2
     122.0       1.5
     135.0       1.6
     136.0     100.0
     137.0       8.9

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₈ H₈ O₂	0.05 ml : 0.5 ml CDCl₃
1,4-benzodioxane

    Assign.     Shift(ppm)

      A             6.845
      B             6.805
      C             4.184

     Hz     ppm     Int.

   2745.00   6.869     23
   2742.19   6.862    121
   2741.82   6.861    128
   2738.28   6.852    195
   2736.69   6.848    142
   2735.35   6.845    192
   2732.54   6.838    284
   2732.06   6.837    306
   2728.88   6.829    107
   2726.20   6.822    110
   2723.02   6.814    284
   2722.53   6.813    288
   2719.85   6.806    170
   2718.38   6.802    138
   2716.80   6.798    200
   2713.26   6.790    123
   2712.89   6.789    126
   2710.21   6.782     23
   1672.36   4.185   1000

in CDCl3