6163-58-2

Tri(o-tolyl)phosphine(6163-58-2) MS

Product NameTri(o-tolyl)phosphine

CAS 6163-58-2

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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Tri(o-tolyl)phosphine(6163-58-2) MS
Mass

MS-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

Tri(o-tolyl)phosphine(6163-58-2) MS

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