Cyclophosphamide(50-18-0) Raman
Product NameCyclophosphamide
CAS50-18-0
Molecular FormulaC7H15Cl2N2O2P
Molecular Weight261.09
InChIInChI=1S/C7H15Cl2N2O2P/c8-2-5-11(6-3-9)14(12)10-4-1-7-13-14/h1-7H2,(H,10,12)
InChIKey CMSMOCZEIVJLDB-UHFFFAOYSA-N
SmilesO1CCCNP1(=O)N(CCCl)CCCl
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MassMS-NW-6932 cyclophosphamide C7H15Cl2N2O2P H2O (Mass of molecular ion: 260)
Source Temperature: 180 °C Sample Temperature: 110 °C Direct, 75 eV
15.0 1.5 18.0 1.9 27.0 8.9 28.0 10.1 29.0 2.3 30.0 6.6 36.0 1.8 39.0 1.3 41.0 5.3 42.0 7.5 43.0 1.3 44.0 1.6 47.0 3.0 49.0 1.5 54.0 2.5 55.0 1.5 56.0 67.8 57.0 4.0 58.0 1.1 63.0 5.3 65.0 3.8 69.0 1.0 70.0 2.0 76.0 1.0 90.0 1.4 92.0 25.9 93.0 1.6 94.0 7.8 102.0 2.4 104.0 1.1 106.0 4.3 108.0 1.2 120.0 48.1 121.0 4.1 134.0 2.1 147.0 1.6 149.0 5.8 154.0 1.3 156.0 1.5 161.0 1.1 175.0 6.4 181.0 1.7 183.0 1.9 211.0 100.0 212.0 7.6 213.0 32.9 214.0 2.5 225.0 1.6 260.0 1.9 262.0 1.2
400 MHz in CDCl3
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1H NMR 399.65 MHz C7 H15 Cl2 N2 O2 P 0.061 g : 0.5 ml CDCl3 cyclophosphamide 
Assign. Shift(ppm)
A *1 4.431 B *1 4.279 C 3.635 D *2 3.50 to 3.380 E *2 3.267 F 3.13 G 2.5 J *3 1.925 K *3 1.828 ASSIGNED BY H-H COSY.
Hz ppm Int.1786.50 4.471 33 1783.57 4.463 37 1780.15 4.455 38 1776.98 4.447 66 1775.39 4.443 55 1773.80 4.439 46 1772.34 4.435 54 1770.39 4.430 46 1769.04 4.427 53 1767.46 4.423 47 1765.87 4.419 81 1762.70 4.411 44 1759.28 4.403 43 1756.35 4.395 38 1721.80 4.309 47 1717.77 4.299 30 1716.31 4.295 31 1709.47 4.278 50 1708.01 4.274 34 1705.08 4.267 55 1693.48 4.238 31 1466.55 3.670 37 1460.21 3.654 396 1453.13 3.637 1000 1446.29 3.619 534 1405.40 3.517 46 1398.93 3.501 58 1396.97 3.496 30 1393.80 3.488 73 1390.63 3.480 155 1387.21 3.472 98 1384.03 3.464 255 1380.98 3.456 211 1379.03 3.451 201 1377.20 3.447 166 1374.02 3.439 255 1372.44 3.435 281 1369.02 3.426 166 1366.58 3.420 173 1362.06 3.409 189 1359.13 3.401 71 1354.74 3.390 109 1351.81 3.383 32 1347.05 3.371 55 1323.36 3.312 33 1322.27 3.309 33 1318.85 3.301 36 1317.87 3.298 35 1306.88 3.271 37 1302.61 3.260 41 1298.83 3.250 35 1297.85 3.248 35 1251.34 3.132 82 1016.11 2.543 215 779.05 1.950 44 778.32 1.948 42 773.93 1.937 49 769.41 1.926 56 764.89 1.914 59 764.28 1.913 58 760.62 1.904 36 759.77 1.902 43 739.50 1.851 49 737.55 1.846 48 735.35 1.840 65 732.67 1.834 46 732.18 1.833 46 731.08 1.830 50 725.83 1.817 34 721.07 1.805 33
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
