(4-CHLOROBENZYL)TRIPHENYLPHOSPHONIUM CHLORIDE(1530-39-8) ¹³C NMR

Product Name(4-CHLOROBENZYL)TRIPHENYLPHOSPHONIUM CHLORIDE

Molecular FormulaC25H21Cl2P

Molecular Weight423.31

InChIInChI=1S/C25H21ClP.ClH/c26-22-18-16-21(17-19-22)20-27(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25;/h1-19H,20H2;1H/q+1;/p-1

InChIKey RAHOAHBOOHXRDY-UHFFFAOYSA-M

Smiles[P+](CC1=CC=C(Cl)C=C1)(C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1.[Cl-]

Request For Quotation

¹HNMR

¹³CNMR

Mass

MS-KW-0426          
4-chlorobenzyltriphenylphosphonium chloride 
C25H21Cl2P          (Mass of molecular ion:    422)

   Source Temperature: 200 °C
   Sample Temperature: 210 °C
   Direct, 75 eV

      18.0       3.7
      26.0       1.4
      28.0      17.9
      35.0       2.0
      36.0      20.4
      38.0       6.8
      39.0       3.9
      50.0       2.6
      51.0       7.5
      52.0       1.5
      57.0       2.8
      62.0       2.0
      63.0       3.8
      65.0       2.5
      74.0       1.4
      75.0       2.7
      76.0       1.9
      77.0       4.9
      78.0       5.4
      81.0       2.3
      83.0       1.5
      88.0       4.3
      88.5       1.3
      89.0       4.7
      90.0       1.2
      91.0       6.4
      92.0       1.0
      93.0       1.2
      99.0       1.5
     101.0       1.3
     102.0       1.2
     106.0       2.6
     107.0      16.0
     108.0      44.6
     109.0       4.2
     115.0       4.1
     125.0      11.6
     126.0       3.2
     127.0       4.5
     128.0       2.2
     131.0       3.1
     133.0       3.4
     139.0       2.4
     141.0       1.6
     151.0       2.1
     152.0      11.0
     153.0       2.5
     154.0       2.3
     157.0       4.6
     165.0      10.5
     166.0       8.0
     167.0       1.9
     170.0       3.2
     176.0       2.8
     177.0       3.3
     178.0      13.4
     179.0       2.5
     181.0       1.8
     182.0       1.3
     183.0      80.4
     184.0      18.7
     185.0      13.5
     186.0       2.1
     194.0       1.0
     196.0       2.5
     199.0       1.4
     201.0       8.9
     202.0       1.6
     203.0       3.0
     212.0       2.6
     213.0       1.8
     214.0       1.1
     215.0       1.0
     228.0       1.0
     248.0       9.3
     249.0       1.5
     250.0       6.0
     251.0       1.0
     252.0       1.2
     257.0       1.0
     259.0       1.6
     260.0       3.1
     261.0      18.9
     262.0     100.0
     263.0      19.4
     264.0       2.0
     277.0       2.0
     309.0       1.5
     385.0      11.3
     386.0      11.1
     387.0       6.5
     388.0       3.9

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₂₅H₂₁Cl₂P	0.041 g : 0.5 ml CDCl₃
4-chlorobenzyltriphenylphosphonium chloride

    Assign.     Shift(ppm)

     A           7.79
     B           7.74
     C           7.602
     D           7.144
     E           7.020
     F           5.684

     Hz     ppm     Int.

   3124.88   7.817    596
   3123.78   7.814    745
   3116.46   7.796    897
   3115.24   7.793    822
   3112.31   7.785    600
   3111.09   7.782    767
   3103.89   7.764   1000
   3102.67   7.761    989
   3095.95   7.745    613
   3094.00   7.740    574
   3089.60   7.729    247
   3088.38   7.726    383
   3087.65   7.724    357
   3086.43   7.721    351
   3047.49   7.623    649
   3045.78   7.619    393
   3043.95   7.615    681
   3039.43   7.603    894
   3035.89   7.594    850
   3031.99   7.585    429
   3030.28   7.580    251
   3028.45   7.576    393
   2861.94   7.159    318
   2859.38   7.153    329
   2853.28   7.138    445
   2850.71   7.131    419
   2810.19   7.030    555
   2809.33   7.028    579
   2801.64   7.008    428
   2800.66   7.006    377
   2279.42   5.702    481
   2264.53   5.665    474

in CDCl3