2665-11-4

硼酸十六烷基酯(2665-11-4)質(zhì)譜(MS)

分子式:C48H99BO3

分子量: 735.11

InChI:InChI=1S/C48H99BO3/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-50-49(51-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)52-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h4-48H2,1-3H3

InChIKey: WZGVRXXJKGXOBR-UHFFFAOYSA-N

Smiles:B(OCCCCCCCCCCCCCCCC)(OCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCC

Mass

MS-NW-9237          
trihexadecyl borate
C48H99BO3           (Mass of molecular ion:    734)

   Source Temperature: 250 °C
   Sample Temperature: 230 °C
   Direct, 75 eV

      17.0      11.1
      18.0      58.7
      27.0       6.0
      28.0       8.5
      29.0      16.8
      31.0       3.9
      32.0       1.6
      39.0       4.8
      40.0       1.1
      41.0      39.1
      42.0      11.0
      43.0      66.8
      44.0       3.4
      45.0       1.4
      53.0       2.0
      54.0       6.5
      55.0      61.3
      56.0      34.6
      57.0     100.0
      58.0       4.6
      66.0       1.9
      67.0      13.3
      68.0      20.9
      69.0      59.5
      70.0      32.4
      71.0      60.4
      72.0       3.5
      79.0       1.3
      81.0      10.3
      82.0      28.6
      83.0      61.4
      84.0      20.2
      85.0      38.3
      86.0       2.7
      95.0       5.8
      96.0      13.9
      97.0      50.7
      98.0      12.2
      99.0      17.7
     100.0       1.5
     109.0       2.6
     110.0       5.8
     111.0      26.4
     112.0       7.9
     113.0      12.9
     114.0       1.1
     123.0       1.6
     124.0       3.8
     125.0      13.5
     126.0       4.8
     127.0      10.7
     128.0       1.1
     138.0       2.3
     139.0       6.1
     140.0       3.2
     141.0       9.6
     142.0       1.1
     152.0       1.3
     153.0       3.4
     154.0       2.1
     155.0       7.2
     166.0       1.0
     167.0       2.1
     168.0       1.6
     169.0       4.3
     181.0       1.0
     183.0       1.6
     196.0       3.0
     222.0       1.7
     223.0       1.1
     224.0       6.7
     225.0      33.1
     226.0       5.8
     287.0       2.3

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₄₈ H₉₉ B O₃	0.033 g : 0.5 ml CDCl₃
trihexadecyl borate

    Assign.     Shift(ppm)

      A             3.638
      B             1.56
      C             1.32
      D             1.26
      E             0.880

     Hz     ppm     Int.

   1460.57   3.655     38
   1453.98   3.639     72
   1447.27   3.622     37
    632.81   1.584     24
    625.85   1.566     35
    618.41   1.548     32
    534.30   1.337     34
    533.45   1.335     34
    525.76   1.316     67
    525.27   1.315     68
    519.65   1.301     85
    519.29   1.300     86
    502.32   1.257   1000
    358.64   0.898     65
    351.93   0.881    182
    344.85   0.863     73

in CDCl3