BORIC ACID TRIS(4-CHLOROPHENYL) ESTER(7359-58-2) MS
Product NameBORIC ACID TRIS(4-CHLOROPHENYL) ESTER
CAS7359-58-2
Molecular FormulaC18H12BCl3O3
Molecular Weight393.46
InChIInChI=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
SmilesB(OC1=CC=C(Cl)C=C1)(OC1=CC=C(Cl)C=C1)OC1=CC=C(Cl)C=C1
-
MassMS-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
