Tri(o-tolyl)phosphine(6163-58-2) IR2
Product NameTri(o-tolyl)phosphine
CAS6163-58-2
Molecular FormulaC21H21P
Molecular Weight304.37
InChIInChI=1S/C21H21P/c1-16-10-4-7-13-19(16)22(20-14-8-5-11-17(20)2)21-15-9-6-12-18(21)3/h4-15H,1-3H3
InChIKey COIOYMYWGDAQPM-UHFFFAOYSA-N
SmilesP(C1=CC=CC=C1C)(C1=CC=CC=C1C)C1=CC=CC=C1C
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MassMS-IW-3912 tri(o-tolyl)phosphine C21H21P (Mass of molecular ion: 304)
Source Temperature: 140 °C Sample Temperature: 130 °C Direct, 75 eV
39.0 1.1 65.0 2.4 77.0 4.3 78.0 6.0 89.0 1.0 91.0 4.3 95.0 1.6 105.0 1.3 107.0 1.0 115.0 1.3 121.0 3.5 122.0 1.3 133.0 2.6 152.0 3.1 165.0 11.4 166.0 3.2 170.0 1.1 178.0 4.5 179.0 8.3 180.0 4.2 181.0 1.1 183.0 3.1 194.0 1.0 195.0 2.0 196.0 10.2 197.0 13.5 198.0 1.9 210.0 1.7 211.0 6.3 212.0 2.3 213.0 1.0 287.0 2.6 289.0 100.0 290.0 22.2 291.0 2.3 303.0 19.4 304.0 62.1 305.0 14.3 306.0 1.6
400 MHz in CDCl3
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1H NMR 399.65 MHz C21 H21 P 0.035 g : 0.5 ml CDCl3 tri(o-tolyl)phosphine 
Assign. Shift(ppm)
A 7.24 B 7.22 C 7.060 D 6.723 E 2.389 J(A,B)=7.6HZ J(A,C)=1.2HZ J(A,P-31)=13HZ J(C,D)=7.5HZ J(D,P-31)=5HZ A AND B WERE CONFIRMED BY LAOCN PROGRAM.
Hz ppm Int.2905.64 7.271 57 2904.42 7.268 61 2898.07 7.252 183 2896.97 7.249 185 2890.26 7.232 310 2888.67 7.229 202 2884.89 7.219 158 2884.40 7.218 166 2883.79 7.216 149 2881.10 7.210 45 2878.54 7.203 61 2877.93 7.202 59 2877.44 7.200 53 2876.83 7.199 51 2830.57 7.083 89 2830.08 7.082 84 2828.86 7.079 90 2823.00 7.064 160 2822.39 7.063 157 2821.78 7.061 151 2821.29 7.060 154 2816.04 7.047 75 2815.43 7.045 79 2814.82 7.044 83 2814.21 7.042 87 2692.50 6.738 116 2688.96 6.729 115 2688.11 6.727 122 2685.30 6.720 118 2680.91 6.709 106 2680.54 6.708 105 954.59 2.389 1000
in CDCl3
KBr disc
nujol mull
