766-15-4

4，4′-二甲基1，3-二噁烷(766-15-4)核磁图(¹HNMR)

产品名称:4，4′-二甲基1，3-二噁烷

CAS:766-15-4

分子式:C6H12O2

分子量: 116.16

InChI:InChI=1S/C6H12O2/c1-6(2)3-4-7-5-8-6/h3-5H2,1-2H3

InChIKey: GDKSTFXHMBGCPG-UHFFFAOYSA-N

Smiles:O1CCC(C)(C)OC1

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-3506          
4,4-dimethyl-1,3-dioxane
C6H12O2             (Mass of molecular ion:    116)

   Source Temperature: 210 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      15.0       4.7
      18.0       3.1
      26.0       2.0
      27.0      13.4
      28.0      19.8
      29.0      18.2
      30.0       3.7
      31.0      24.2
      38.0       1.4
      39.0      14.9
      40.0       3.3
      41.0      49.1
      42.0       6.7
      43.0     100.0
      44.0       6.1
      45.0       4.6
      46.0       3.1
      50.0       1.0
      51.0       1.2
      53.0       3.9
      55.0       7.0
      56.0      23.5
      57.0       8.3
      58.0      53.4
      59.0      81.6
      60.0       3.2
      61.0       1.4
      67.0       2.4
      68.0       2.9
      69.0      53.9
      70.0       3.6
      71.0      79.3
      72.0       6.2
      73.0       5.4
      74.0       1.1
      85.0       3.2
      86.0      40.4
      87.0       2.9
      89.0       3.2
     101.0      69.0
     102.0       3.8
     103.0       2.5
     115.0       4.6

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₆ H₁₂ O₂	0.05 ml : 0.5 ml CDCl₃
4,4-dimethyl-1,3-dioxane

    Assign.     Shift(ppm)

      A             4.875
      B             3.889
      C             1.658
      D             1.295

     Hz     ppm     Int.

   1948.24   4.875    562
   1560.30   3.905    213
   1557.37   3.897     50
   1555.54   3.893    116
   1554.69   3.891    191
   1553.71   3.888    130
   1551.88   3.884     57
   1549.07   3.877    218
    668.33   1.673    151
    665.41   1.665     38
    662.72   1.659    161
    660.03   1.652     43
    657.10   1.645    147
    517.82   1.296   1000
    508.79   1.274     45
    501.46   1.255     22

in CDCl3