1779-49-3

Methyltriphenylphosphonium bromide(1779-49-3) MS

Product NameMethyltriphenylphosphonium bromide

CAS 1779-49-3

Molecular FormulaC19H18P.Br

Molecular Weight357.22

InChIInChI=1S/C19H18P.BrH/c1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;/h2-16H,1H3;1H/q+1;/p-1

InChIKey LSEFCHWGJNHZNT-UHFFFAOYSA-M

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

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Methyltriphenylphosphonium bromide(1779-49-3) MS
Mass

MS-NW-7054          
methyltriphenylphosphonium bromide
C19H18BrP           (Mass of molecular ion:    356)

   Source Temperature: 240 °C
   Sample Temperature: 270 °C
   Direct, 75 eV

      15.0       2.8
      27.0       1.1
      39.0       3.4
      50.0       2.6
      51.0       8.9
      52.0       1.1
      57.0       3.0
      63.0       2.2
      65.0       2.8
      75.0       1.0
      76.0       1.0
      77.0       5.7
      78.0       2.2
      79.0       2.2
      80.0       3.8
      81.0       2.7
      82.0       3.4
      83.0       1.6
      89.0       1.2
      91.0       4.0
      93.0       1.5
      94.0       7.5
      95.0       1.1
      96.0       7.0
     102.0       1.0
     107.0      14.5
     108.0      30.3
     109.0       2.9
     115.0       4.2
     121.0       3.1
     128.0       1.5
     131.0       1.9
     133.0       3.7
     139.0       2.1
     141.0       1.9
     151.0       1.1
     152.0       9.3
     153.0       2.3
     154.0       2.0
     157.0       4.6
     165.0       2.1
     170.0       3.2
     181.0       1.7
     182.0       1.1
     183.0      77.1
     184.0      15.8
     185.0      16.6
     186.0       2.2
     199.0       1.3
     200.0       1.6
     228.0       1.8
     257.0       1.3
     259.0       3.1
     260.0       2.8
     261.0      17.0
     262.0     100.0
     263.0      19.5
     264.0       1.9
     275.0      45.2
     276.0      16.5
     277.0       5.3
     278.0       1.2

400 MHz in CDCl3

Methyltriphenylphosphonium bromide(1779-49-3) MS

¹H NMR	399.65 MHz
C₁₉ H₁₈ Br P	0.027 g : 0.5 ml CDCl₃
methyltriphenylphosphonium bromide

    Assign.     Shift(ppm)

      A          7.84 to 7.670
      B             3.273
     
     J(P-31,B)=13.3HZ.

     Hz     ppm     Int.

   3142.70   7.864     30
   3142.33   7.863     31
   3141.85   7.862     32
   3141.24   7.860     34
   3140.87   7.860     35
   3139.04   7.855     39
   3138.67   7.854     39
   3133.42   7.841    125
   3132.08   7.838    204
   3131.47   7.836    186
   3130.74   7.834    197
   3129.88   7.832    225
   3128.42   7.828    179
   3126.83   7.824    185
   3124.76   7.819    475
   3122.68   7.814    555
   3120.61   7.809    303
   3118.90   7.805    512
   3117.68   7.802    725
   3116.21   7.798    588
   3113.89   7.792    312
   3112.79   7.789    307
   3110.47   7.783    831
   3109.01   7.780    623
   3105.96   7.772    322
   3104.49   7.769    466
   3103.15   7.765    280
   3099.85   7.757    258
   3097.53   7.751    848
   3095.95   7.747    718
   3090.45   7.733    609
   3088.26   7.728    396
   3086.67   7.724    661
   3083.13   7.715    609
   3082.28   7.713    581
   3079.59   7.706    585
   3075.32   7.696    269
   3074.46   7.693    213
   3073.36   7.691    146
   3071.78   7.687    211
   3070.92   7.685    154
   1321.29   3.307     32
   1320.19   3.304     38
   1318.97   3.301     47
   1314.58   3.290   1000
   1310.30   3.279     49
   1309.08   3.276     43
   1308.35   3.274     41
   1307.86   3.273     41
   1307.01   3.271     44
   1306.64   3.270     43
   1301.27   3.257    991

in CDCl3