3778-73-2

異環(huán)磷酰胺(3778-73-2)紅外圖譜(IR1)

產(chǎn)品名稱:異環(huán)磷酰胺

CAS:3778-73-2

分子式:C7H15Cl2N2O2P

分子量: 261.09

InChI:InChI=1S/C7H15Cl2N2O2P/c8-2-4-10-14(12)11(6-3-9)5-1-7-13-14/h1-7H2,(H,10,12)

InChIKey: HOMGKSMUEGBAAB-UHFFFAOYSA-N

Smiles:O1CCCN(CCCl)P1(=O)NCCCl

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

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

    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