(Carbethoxymethyl)triphenylphosphonium bromide(1530-45-6) IR1

Product Name(Carbethoxymethyl)triphenylphosphonium bromide

Molecular FormulaC22H22BrO2P

Molecular Weight429.29

InChIInChI=1S/C22H22O2P.BrH/c1-2-24-22(23)18-25(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;/h3-17H,2,18H2,1H3;1H/q+1;/p-1

InChIKey VJVZPTPOYCJFNI-UHFFFAOYSA-M

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

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Mass

MS-IW-0050          
(ethoxycarbonylmethyl)triphenylphosphonium bromide
C22H22BrO2P         (Mass of molecular ion:    428)

   Source Temperature: 190 °C
   Sample Temperature: 130 °C
   Direct, 75 eV

      17.0       2.7
      18.0      16.2
      27.0       4.2
      28.0       2.8
      29.0       4.9
      31.0       6.4
      44.0       6.1
      45.0       3.6
      46.0       1.7
      47.0       3.4
      50.0       1.1
      51.0       7.3
      77.0      12.5
      78.0       1.7
      80.0       2.7
      82.0       2.5
      95.0       1.7
     107.0       1.8
     108.0       7.4
     110.0       5.8
     115.0       1.1
     128.0       1.3
     133.0       1.1
     151.0       1.1
     152.0       8.4
     153.0       3.5
     154.0       3.7
     165.0       1.9
     170.0       1.4
     171.0       1.5
     173.0       1.8
     183.0      17.3
     184.0       2.8
     185.0       8.8
     186.0       1.2
     199.0      20.7
     200.0       3.1
     201.0      14.4
     202.0       2.1
     261.0       1.0
     262.0       4.8
     263.0       1.0
     275.0       2.5
     276.0       2.4
     277.0     100.0
     278.0      53.5
     279.0       9.0
     301.0       7.8
     302.0       3.6
     303.0       2.0
     347.0       1.0

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₂₂ H₂₂ Br O₂ P	0.035 g : 0.5 ml CDCl₃
(ethoxycarbonylmethyl)triphenylphosphonium bromide

    Assign.     Shift(ppm)

      A             7.894
      B             7.814
      C             7.703
      D             5.468
      E             4.030
      F             1.050

     Hz     ppm     Int.

   3167.11   7.925    422
   3159.91   7.907    512
   3158.57   7.904    440
   3153.69   7.892    436
   3146.48   7.874    492
   3145.14   7.870    418
   3139.28   7.856     34
   3138.79   7.854     33
   3138.18   7.853     32
   3137.82   7.852     33
   3131.84   7.837    147
   3130.86   7.835    151
   3129.88   7.832    148
   3128.66   7.829    112
   3124.27   7.818    380
   3122.44   7.813    368
   3116.70   7.799    269
   3115.72   7.797    274
   3086.67   7.724    391
   3084.96   7.720    249
   3083.01   7.715    433
   3078.74   7.704    579
   3075.20   7.695    562
   3071.29   7.685    290
   3067.63   7.676    249
   3061.52   7.661     36
   2192.26   5.486    364
   2178.47   5.451    362
   1621.34   4.057    137
   1614.14   4.039    411
   1607.06   4.022    408
   1599.85   4.004    135
    426.88   1.069    491
    419.80   1.051   1000
    412.60   1.033    474

in CDCl3