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Back ChemicalBook Home>CAS DataBase List>70340-04-4More Spectrum> (2-HYDROXYBENZYL)TRIPHENYLPHOSPHONIUM BROMIDE(70340-04-4) IR2

70340-04-4

(2-HYDROXYBENZYL)TRIPHENYLPHOSPHONIUM BROMIDE(70340-04-4) IR2

Molecular FormulaC25H22BrOP

Molecular Weight449.32

InChIInChI=1S/C25H21OP.BrH/c26-25-19-11-10-12-21(25)20-27(22-13-4-1-5-14-22,23-15-6-2-7-16-23)24-17-8-3-9-18-24;/h1-19H,20H2;1H

InChIKey FKKZGQXMWVGPMH-UHFFFAOYSA-N

Smiles[P+](CC1C=CC=CC=1O)(C1C=CC=CC=1)(C1C=CC=CC=1)C1=CC=CC=C1.[Br-]

  • (2-HYDROXYBENZYL)TRIPHENYLPHOSPHONIUM BROMIDE(70340-04-4) IR2
    Mass

    MS-NW-7208          
    (o-hydroxybenzyl)triphenylphosphonium bromide
    C25H22BrOP          (Mass of molecular ion:    448)
    

       Source Temperature: 190 °C
       Sample Temperature: 150 °C
       Direct, 75 eV
    

          17.0       1.2
          18.0       5.2
          38.0       1.3
          39.0       4.6
          50.0       3.9
          51.0       8.5
          52.0       5.2
          57.0       2.1
          63.0       2.0
          65.0       1.4
          74.0       1.2
          75.0       1.0
          76.0       1.2
          77.0       6.5
          78.0      13.5
          79.0       2.5
          80.0       6.5
          81.0       2.5
          82.0       6.4
          83.0       1.1
         106.0      11.0
         107.0      15.6
         108.0      28.7
         109.0       2.8
         115.0       2.6
         128.0       1.2
         131.0       2.8
         133.0       2.5
         139.0       1.4
         141.0       1.2
         152.0       5.9
         153.0       1.7
         154.0       1.8
         157.0       3.1
         170.0       2.4
         181.0       1.3
         183.0      54.8
         184.0      12.7
         185.0       9.5
         186.0       1.6
         261.0      16.2
         262.0     100.0
         263.0      20.0
         264.0       2.0
    

400 MHz in CDCl3

  • (2-HYDROXYBENZYL)TRIPHENYLPHOSPHONIUM BROMIDE(70340-04-4) IR2

    1H NMR 399.65 MHz
    C25 H22 Br O P 0.035 g : 0.5 ml CDCl3
    (o-hydroxybenzyl)triphenylphosphonium bromide
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.98 B 7.726 C 7.56 D 7.51 E 7.283 F 6.96 G 6.94 J 6.583 K 4.578 J(P-31,B)=1.6HZ J(P-31,C)=3.8HZ J(P-31,D)=12.1HZ J(P-31,K)=13.4HZ

         Hz     ppm     Int.
    

       3588.75   8.980    204
       3097.66   7.751     83
       3095.95   7.747    164
       3094.48   7.743    175
       3093.26   7.740    102
       3088.87   7.729    323
       3087.16   7.725    345
       3083.62   7.716    123
       3081.91   7.712    200
       3079.83   7.707    203
       3078.37   7.703     94
       3031.01   7.585    221
       3029.30   7.580    153
       3027.22   7.575    303
       3022.83   7.564    562
       3019.17   7.555    578
       3015.50   7.546    648
       3011.47   7.536   1000
       3004.39   7.518    278
       3002.56   7.513    254
       3000.37   7.508    547
       2999.39   7.506    561
       2992.19   7.488    320
       2990.84   7.484    223
       2914.79   7.294    147
       2906.62   7.273    165
       2791.99   6.987     44
       2790.28   6.982     62
       2787.84   6.976     52
       2782.35   6.962    117
       2780.64   6.958     87
       2776.61   6.948    113
       2774.90   6.944    151
       2772.71   6.938     99
       2769.65   6.931     97
       2767.33   6.925     99
       2637.70   6.601     93
       2630.37   6.582    160
       2622.80   6.563     77
       1836.06   4.595    285
       1822.63   4.561    284
    

in CDCl3

  • (2-HYDROXYBENZYL)TRIPHENYLPHOSPHONIUM BROMIDE(70340-04-4) IR2

KBr disc

  • (2-HYDROXYBENZYL)TRIPHENYLPHOSPHONIUM BROMIDE(70340-04-4) IR2

nujol mull

  • (2-HYDROXYBENZYL)TRIPHENYLPHOSPHONIUM BROMIDE(70340-04-4) IR2

(2-HYDROXYBENZYL)TRIPHENYLPHOSPHONIUM BROMIDE(70340-04-4) IR2 Atlas of Related Products

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