7359-58-2

硼酸三(4-氯苯) 酯(7359-58-2)质谱(MS)

产品名称:硼酸三(4-氯苯) 酯

CAS:7359-58-2

分子式:C18H12BCl3O3

分子量: 393.46

InChI:InChI=1S/C18H12BCl3O3/c20-13-1-7-16(8-2-13)23-19(24-17-9-3-14(21)4-10-17)25-18-11-5-15(22)6-12-18/h1-12H

InChIKey: JOAZIIBFQMIXJM-UHFFFAOYSA-N

Smiles:B(OC1=CC=C(Cl)C=C1)(OC1=CC=C(Cl)C=C1)OC1=CC=C(Cl)C=C1

¹HNMR

IR1

Mass

MS-IW-5795          
tris(p-chlorophenyl) borate
C18H12BCl3O3        (Mass of molecular ion:    392)

   Source Temperature: 160 °C
   Sample Temperature: 110 °C
   Direct, 75 eV

      39.0       1.8
      50.0       3.3
      51.0       2.0
      63.0       2.6
      64.0       2.8
      65.0       3.8
      73.0       1.7
      74.0       1.5
      75.0      19.4
      76.0       5.8
      85.0       1.5
      99.0       2.7
     100.0       1.5
     101.0       1.0
     110.0       2.0
     111.0      51.8
     112.0       4.0
     113.0      16.7
     114.0       1.2
     127.0       2.1
     128.0      17.7
     129.0       2.2
     130.0       5.7
     139.0       1.2
     154.0       2.8
     155.0       1.2
     167.0       1.0
     168.0       1.6
     178.5       1.1
     186.0       1.8
     194.0       1.1
     195.5       1.0
     196.0       3.8
     196.5       1.5
     197.0       3.7
     197.5       1.1
     198.0       1.4
     203.0       1.3
     229.0       2.0
     230.0       6.4
     231.0       2.6
     232.0       3.2
     238.0       1.1
     264.0      10.4
     265.0      37.7
     266.0      11.9
     267.0      25.1
     268.0       4.4
     269.0       4.1
     391.0      23.7
     392.0     100.0
     393.0      41.6
     394.0      97.3
     395.0      26.0
     396.0      32.6
     397.0       7.0
     398.0       3.8
     460.0       1.0
     461.0       4.0
     462.0       6.9
     463.0       4.8
     464.0       6.0
     465.0       2.2
     466.0       2.0

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₈ H₁₂ B Cl₃ O₃	0.063 g : 0.5 ml CDCl₃
tris(p-chlorophenyl) borate

    Assign.     Shift(ppm)

      A             7.261
      B             7.031

     Hz     ppm     Int.

   2910.28   7.283    101
   2906.98   7.274    851
   2904.79   7.269    288
   2900.27   7.258    326
   2898.07   7.252    966
   2894.90   7.244    162
   2817.50   7.050    130
   2814.21   7.042   1000
   2812.01   7.037    295
   2807.50   7.025    288
   2805.42   7.020    797
   2802.00   7.012     92

liquid film