20905-35-5

硼酸三亚甲酯(20905-35-5)核磁图(¹HNMR)

产品名称:硼酸三亚甲酯

CAS:20905-35-5

分子式:C9H18B2O6

分子量: 243.86

InChI:InChI=1S/C9H18B2O6/c1-4-12-10(13-5-1)16-8-3-9-17-11-14-6-2-7-15-11/h1-9H2

InChIKey: FZNHHPNJQSIEPT-UHFFFAOYSA-N

Smiles:C(OB1OCCCO1)CCOB1OCCCO1

Mass

MS-NW-5577          
2,2'-(trimethylenedioxy)bis(1,3,2-dioxaborinane)
C9H18B2O6           (Mass of molecular ion:    244)

   Source Temperature: 270 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      26.0       1.6
      27.0       5.6
      28.0      13.2
      29.0       4.1
      31.0       5.9
      39.0       5.0
      40.0       1.6
      41.0      46.5
      42.0       6.0
      43.0       1.8
      44.0       4.5
      45.0      15.8
      54.0       1.7
      55.0       2.2
      56.0       2.5
      57.0       9.1
      58.0       5.8
      59.0       5.7
      67.0       1.7
      68.0       1.2
      69.0       1.7
      70.0       2.3
      71.0       5.8
      72.0       3.8
      74.0       1.3
      75.0       4.5
      83.0       5.3
      84.0      10.8
      85.0      18.8
      86.0       3.6
      87.0       8.7
      88.0       2.9
      89.0       5.1
      97.0       1.3
      98.0       3.9
      99.0      11.4
     100.0       5.0
     101.0      10.9
     102.0       3.6
     103.0       9.0
     112.0       3.6
     113.0      13.2
     114.0      13.1
     115.0      40.4
     116.0       2.1
     126.0       1.5
     127.0       5.3
     128.0       9.5
     129.0      15.0
     130.0       3.0
     140.0       2.7
     141.0      33.5
     142.0     100.0
     143.0       9.4
     144.0       1.0
     154.0       1.3
     155.0       3.3
     156.0       1.9
     157.0       1.0
     158.0       3.0
     159.0       5.6
     168.0       1.1
     184.0       1.5
     185.0       4.0
     186.0       8.5
     187.0      13.4
     188.0       1.1

400 MHz in CDCl3

90 MHz in CDCl3

¹H NMR	399.65 MHz
C₉ H₁₈ B₂ O₆	0.05 ml : 0.5 ml CDCl₃
2,2'-(trimethylenedioxy)bis(1,3,2-dioxaborinane)

    Assign.     Shift(ppm)

      A             4.024
      B             3.839
      C             1.906
      D             1.772

     Hz     ppm     Int.

   1613.40   4.038    809
   1607.91   4.024   1000
   1602.42   4.010    711
   1546.14   3.869     49
   1540.77   3.856    345
   1534.42   3.840    615
   1528.08   3.824    321
    780.03   1.952     31
    778.20   1.948     32
    772.09   1.932    153
    766.60   1.919    336
    761.23   1.905    429
    755.62   1.891    287
    750.24   1.878    114
    720.70   1.804     65
    718.38   1.798     36
    714.36   1.788    184
    708.01   1.772    250
    701.54   1.756    166
    695.19   1.740     46

¹H NMR	89.56 MHz
C₉ H₁₈ B₂ O₆	0.04 ml : 0.5 ml CDCl₃
2,2'-(trimethylenedioxy)bis(1,3,2-dioxaborinane)

    Assign.     Shift(ppm)

      A             4.016
      B             3.844
      C             1.89
      D             1.78

     Hz     ppm     Int.

    365.44   4.081    675
    360.00   4.020   1000
    354.44   3.958    785
    350.75   3.917    331
    344.31   3.845    667
    337.94   3.774    334
    180.44   2.015    102
    179.00   1.999     38
    174.94   1.954    272
    171.44   1.915    170
    170.69   1.906    195
    169.50   1.893    397
    165.56   1.849    267
    164.75   1.840    241
    163.88   1.830    250
    159.25   1.779    281
    155.44   1.736     31
    152.88   1.708    147
    146.50   1.636     35

in CDCl3