4-METHYL-1,3-DIOXANE(1120-97-4) IR1

Product Name4-METHYL-1,3-DIOXANE

CAS 1120-97-4

Molecular FormulaC5H10O2

Molecular Weight102.13

InChIInChI=1S/C5H10O2/c1-5-2-3-6-4-7-5/h5H,2-4H2,1H3

InChIKey INCCMBMMWVKEGJ-UHFFFAOYSA-N

SmilesO1CCC(C)OC1

Request For Quotation

Mass

MS-NW-1123          
4-methyl-1,3-dioxane
C5H10O2             (Mass of molecular ion:    102)

   Source Temperature: 240 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      15.0       5.2
      18.0       2.7
      19.0       1.3
      26.0       3.7
      27.0      20.5
      28.0      38.4
      29.0      21.0
      30.0      11.3
      31.0      47.6
      32.0       2.8
      38.0       1.4
      39.0      11.6
      40.0       3.7
      41.0      22.8
      42.0      37.0
      43.0     100.0
      44.0      16.1
      45.0      40.3
      53.0       1.3
      55.0      67.3
      56.0       3.1
      57.0      22.6
      58.0      17.2
      59.0       2.0
      71.0       4.8
      72.0      59.7
      73.0       3.0
      87.0      19.3
     101.0      73.4
     102.0       4.4

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₅ H₁₀ O₂	0.05 ml : 0.5 ml CDCl₃
4-methyl-1,3-dioxane

    Assign.     Shift(ppm)

      A             5.027
      B             4.699
      C             4.078
      D             3.73
      E             3.70
      F             1.736
      G             1.479
      J             1.231

     Hz     ppm     Int.

   2012.33   5.036    181
   2005.98   5.020    202
   1881.23   4.708    423
   1875.00   4.692    398
   1638.55   4.100     87
   1633.54   4.088     88
   1627.08   4.072    102
   1625.85   4.069     68
   1623.29   4.062     65
   1622.07   4.059    102
   1494.51   3.740     67
   1492.31   3.735    128
   1489.75   3.728    149
   1488.40   3.725     84
   1485.96   3.719     70
   1483.64   3.713     77
   1479.98   3.704    186
   1477.42   3.697    195
   1468.63   3.675    101
   1466.06   3.669     98
    715.21   1.790     48
    710.33   1.778     49
    704.22   1.763     51
    702.88   1.759     58
    701.90   1.757     71
    699.22   1.750     52
    697.88   1.747     57
    697.02   1.745     70
    691.89   1.732     55
    690.92   1.729     72
    689.58   1.726     70
    687.01   1.720     56
    685.91   1.717     71
    684.69   1.714     65
    678.59   1.698     62
    673.71   1.686     60
    600.83   1.504     41
    599.85   1.501     53
    599.24   1.500     58
    598.39   1.498    115
    597.41   1.495    105
    596.80   1.494    105
    595.83   1.491    125
    594.85   1.489     68
    593.38   1.485     51
    587.40   1.470     40
    586.55   1.468     48
    585.94   1.467     51
    584.96   1.464     97
    583.98   1.462     86
    583.50   1.461     84
    582.52   1.458     98
    581.54   1.456     52
    580.93   1.454     45
    580.08   1.452     38
    495.36   1.240    961
    489.01   1.224   1000

in CDCl3