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3778-73-2

Ifosfamide

Product Name Ifosfamide

CAS3778-73-2

MFC7H15Cl2N2O2P

MW261.09

More

  • 3778-73-2_ms_1
    Mass

    MS-IW-4293          
    3-(2-chloroethyl)-2-(2-chloroethylamino)-3,4,5,6-tetrahydro-2H-1,3,2-oxazaphosphorine 2-oxide
    C7H15Cl2N2O2P       (Mass of molecular ion:    260)
    

       Source Temperature: 180 °C
       Sample Temperature: 130 °C
       Direct, 75 eV
    

          27.0       2.9
          28.0       3.9
          30.0       1.9
          36.0       2.9
          41.0       7.2
          42.0       8.6
          43.0       1.5
          44.0       2.0
          47.0       1.1
          54.0       1.2
          55.0       1.2
          56.0       5.9
          63.0       2.4
          65.0       1.3
          68.0       1.9
          70.0      15.6
          78.0       1.0
          80.0       1.1
          81.0       2.0
          82.0       1.0
          90.0       1.0
          92.0       4.4
          94.0       1.8
         106.0       2.8
         108.0       1.4
         118.0       4.0
         120.0       4.7
         121.0       1.1
         126.0       1.0
         134.0      33.4
         135.0       1.9
         136.0       1.6
         147.0       1.1
         154.0       5.3
         156.0       2.4
         175.0       5.9
         182.0       2.3
         183.0       3.3
         185.0       1.0
         189.0       1.1
         211.0     100.0
         212.0       7.4
         213.0      32.7
         214.0       2.4
         225.0       1.2
         260.0       1.6
         262.0       1.0
    

400 MHz in CDCl3

  • 3778-73-2_1hnmr_0

    1H NMR 399.65 MHz
    C7 H15 Cl2 N2 O2 P 0.046 g : 0.5 ml CDCl3
    3-(2-chloroethyl)-2-(2-chloroethylamino)-3,4,5,6-tetrahydro-2H-1,3,2-oxazaphosphorine 2-oxide
    ChemicalStructure
        Assign.     Shift(ppm)
    A *1 4.378 B *1 4.245 C 3.665 D 3.613 E 3.54 F 3.462 G 3.30 to 3.20 L 2.03 to 1.88 ASSIGNED BY C-H AND H-H COSY.

         Hz     ppm     Int.
    

       1766.11   4.420     67
       1762.45   4.410     72
       1757.57   4.398    130
       1755.00   4.392    133
       1753.91   4.389    144
       1751.34   4.383    114
       1749.15   4.377     82
       1746.46   4.370    207
       1742.80   4.361    186
       1738.04   4.349    103
       1734.38   4.340     95
       1715.09   4.292     74
       1710.57   4.281    122
       1705.81   4.269     91
       1704.22   4.265     55
       1699.10   4.252    120
       1693.97   4.239    139
       1689.58   4.228     68
       1688.84   4.226     71
       1687.99   4.224     55
       1687.01   4.222     46
       1682.86   4.211     82
       1681.76   4.209     50
       1678.59   4.201     43
       1677.86   4.199     40
       1477.17   3.697     31
       1471.80   3.683    409
       1471.19   3.682    379
       1466.06   3.669    432
       1464.36   3.665    812
       1458.50   3.650    477
       1458.01   3.649    480
       1453.74   3.638     43
       1450.20   3.629    488
       1444.21   3.614   1000
       1438.23   3.599    600
       1422.61   3.560     45
       1415.41   3.542     91
       1404.17   3.514    165
       1397.22   3.497    161
       1389.77   3.478    221
       1382.57   3.460    258
       1375.37   3.442    225
       1368.29   3.424    184
       1361.08   3.406     89
       1330.57   3.330     38
       1324.95   3.316     51
       1323.36   3.312     67
       1322.02   3.308    139
       1320.92   3.306    211
       1319.58   3.302    184
       1316.28   3.294    380
       1313.96   3.288    374
       1312.13   3.284    235
       1310.55   3.280    369
       1308.96   3.276    458
       1306.64   3.270    262
       1305.18   3.266    325
       1303.96   3.263    449
       1300.54   3.255    413
       1299.68   3.253    435
       1297.85   3.248    381
       1294.68   3.240    261
       1293.82   3.238    273
       1291.99   3.233    239
       1290.89   3.231    211
       1289.18   3.226    106
       1287.84   3.223    151
       1285.89   3.218    176
       1285.03   3.216    164
       1283.69   3.213     92
       1279.05   3.201    160
       1277.34   3.197     43
       1276.73   3.195     50
       1273.07   3.186     77
        803.96   2.012     31
        799.93   2.002     36
        798.58   1.999     59
        797.36   1.996     48
        794.31   1.988     61
        793.33   1.986     80
        790.04   1.977    106
        787.23   1.970     72
        785.64   1.966    143
        784.79   1.964    142
        781.86   1.957    150
        780.64   1.954    186
        779.30   1.950    157
        776.61   1.944    183
        775.51   1.941    231
        771.36   1.931    155
        770.51   1.928    163
        766.36   1.918     74
        765.38   1.916     70
        761.35   1.906     50
        756.23   1.893     34
    

in CDCl3

  • 3778-73-2_13cnmr_0

KBr disc

  • 3778-73-2_ir1_2

nujol mull

  • 3778-73-2_ir2_1