5324-30-1

2-溴乙基膦酸二乙酯(5324-30-1)质谱(MS)

产品名称:2-溴乙基膦酸二乙酯

CAS:5324-30-1

分子式:C6H14BrO3P

分子量: 245.05

InChI:InChI=1S/C6H14BrO3P/c1-3-9-11(8,6-5-7)10-4-2/h3-6H2,1-2H3

InChIKey: PINITSMLVXAASM-UHFFFAOYSA-N

Smiles:P(CCBr)(=O)(OCC)OCC

Mass

MS-IW-0075          
diethyl (2-bromoethyl)phosphonate
C6H14BrO3P          (Mass of molecular ion:    244)

   Source Temperature: 260 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       1.2
      18.0       1.0
      26.0       2.7
      27.0      25.5
      28.0      12.7
      29.0      28.4
      31.0       2.3
      41.0       1.1
      43.0       6.2
      44.0       1.7
      45.0      21.0
      47.0       7.6
      55.0       1.1
      65.0      26.3
      80.0       1.1
      81.0      53.2
      82.0      31.1
      83.0      13.0
      91.0      41.1
      92.0       3.8
      93.0      22.8
      94.0       2.1
     106.0       1.8
     107.0       4.9
     108.0       2.7
     109.0      98.2
     110.0      25.4
     111.0      38.0
     112.0       1.0
     119.0       1.0
     121.0       1.1
     136.0       1.1
     137.0      47.6
     138.0     100.0
     139.0       5.4
     143.0      13.5
     144.0       5.2
     145.0      13.3
     146.0       4.8
     161.0       3.5
     163.0       3.2
     165.0      95.4
     166.0       7.4
     171.0      29.2
     172.0       5.0
     173.0      29.2
     174.0       4.9
     188.0       4.6
     189.0      36.0
     190.0       5.4
     191.0      34.9
     199.0       7.1
     200.0       1.3
     201.0       7.2
     202.0       1.2
     215.0       1.4
     216.0       2.2
     217.0      18.0
     218.0       2.9
     219.0      16.4
     245.0       3.7
     247.0       2.9

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₆ H₁₄ Br O₃ P	0.05 ml : 0.5 ml CDCl₃
diethyl (2-bromoethyl)phosphonate

    Assign.     Shift(ppm)

      A             4.126
      B             3.537
      C             2.393
      D             1.340

     Hz     ppm     Int.

   1666.87   4.171     75
   1661.62   4.158    110
   1659.67   4.153    216
   1658.33   4.150     90
   1654.66   4.141    251
   1653.69   4.138    135
   1652.59   4.136    239
   1651.25   4.132    245
   1647.58   4.123    254
   1646.61   4.121    260
   1645.63   4.118    125
   1644.17   4.115    267
   1640.50   4.105    111
   1639.53   4.103    237
   1637.08   4.097    131
   1636.47   4.095     98
   1632.57   4.085     83
   1426.51   3.570    165
   1424.32   3.564     33
   1419.56   3.553     98
   1417.85   3.548    238
   1416.38   3.545    107
   1410.89   3.531    101
   1409.55   3.527    233
   1407.84   3.523     98
   1401.00   3.506    165
    974.00   2.438    161
    967.16   2.421     83
    965.82   2.417     94
    965.09   2.415    101
    964.11   2.413     88
    957.15   2.395    155
    955.32   2.391    168
    953.37   2.386     32
    948.49   2.374     81
    947.27   2.371     94
    946.53   2.369     99
    945.43   2.366     91
    938.48   2.349    152
    543.46   1.360    641
    543.09   1.359    644
    536.38   1.343    988
    536.01   1.342   1000
    529.30   1.325    591
    528.93   1.324    642

in CDCl3