17857-14-6

(3-丙羧基)三苯基溴化膦(17857-14-6)核磁图(¹³CNMR)

分子式:C22H22BrO2P

分子量: 429.29

InChI:InChI=1S/C22H21O2P.BrH/c23-22(24)17-10-18-25(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21;/h1-9,11-16H,10,17-18H2;1H

InChIKey: NKVJKVMGJABKHV-UHFFFAOYSA-N

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

Mass

MS-KW-0854          
(3-carboxylpropyl)triphenylphosphonium bromide
C22H22BrO2P         (Mass of molecular ion:    428)

   Source Temperature: 180 °C
   Sample Temperature: 220 °C
   Direct, 75 eV

      17.0       1.2
      18.0       5.5
      26.0       2.7
      27.0       5.3
      28.0      17.3
      29.0       6.0
      38.0       1.1
      39.0       7.2
      40.0       2.2
      41.0       4.9
      42.0      10.9
      43.0       1.1
      44.0       1.0
      50.0       3.0
      51.0       9.9
      52.0       1.6
      55.0       1.4
      56.0       4.2
      57.0       5.0
      63.0       2.3
      65.0       2.4
      68.0       1.8
      69.0       1.2
      75.0       1.0
      76.0       1.1
      77.0       5.2
      78.0       3.2
      79.0       3.9
      80.0      11.3
      81.0       6.4
      82.0      10.8
      83.0       2.0
      85.0       1.4
      86.0       3.9
      89.0       1.1
      91.0       1.1
     102.0       1.1
     107.0      19.9
     108.0      52.1
     109.0       4.6
     110.0       1.4
     115.0       4.6
     128.0       1.7
     131.0       2.6
     133.0       4.0
     139.0       2.2
     141.0       1.9
     151.0       1.1
     152.0      10.5
     153.0       2.7
     154.0       2.7
     157.0       5.0
     170.0       3.3
     181.0       1.8
     182.0       1.2
     183.0      78.1
     184.0      18.0
     185.0      12.4
     186.0       2.0
     199.0       1.0
     201.0       1.0
     261.0      17.7
     262.0     100.0
     263.0      19.4
     264.0       1.8
     277.0       4.4
     278.0       2.0

in CDCl3