1-PROPANEPHOSPHONIC DICHLORIDE(4708-04-7) Raman
Product Name1-PROPANEPHOSPHONIC DICHLORIDE
CAS4708-04-7
Molecular FormulaC3H7Cl2OP
Molecular Weight160.97
InChIInChI=1S/C3H7Cl2OP/c1-2-3-7(4,5)6/h2-3H2,1H3
InChIKey CWMQAFZROJAZQS-UHFFFAOYSA-N
SmilesC(P(Cl)(Cl)=O)CC
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MassMS-NW-7768 propylphosphonic dichloride C3H7Cl2OP (Mass of molecular ion: 160)
Source Temperature: 250 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 6.0 18.0 1.1 26.0 5.9 27.0 49.7 28.0 8.5 29.0 6.0 31.0 1.0 35.0 1.7 36.0 2.2 37.0 2.2 38.0 5.0 39.0 35.5 40.0 7.1 41.0 70.8 42.0 59.7 43.0 83.6 44.0 2.8 45.0 1.8 47.0 27.3 48.0 1.6 49.0 2.0 56.0 1.0 57.0 1.2 61.0 1.3 63.0 2.8 65.0 1.0 66.0 3.0 67.0 1.0 68.0 1.4 82.0 2.1 83.0 8.1 85.0 3.1 96.0 4.0 97.0 9.9 98.0 1.5 99.0 3.3 101.0 3.1 103.0 2.1 109.0 2.9 111.0 1.0 117.0 7.1 118.0 16.3 119.0 8.8 120.0 10.8 121.0 3.9 122.0 1.9 125.0 7.2 127.0 2.6 132.0 100.0 133.0 1.4 134.0 65.0 135.0 1.0 136.0 10.8 145.0 2.3 147.0 1.7
400 MHz in CDCl3
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1H NMR 399.65 MHz C3 H7 Cl2 O P 0.05 ml : 0.5 ml CDCl3 propylphosphonic dichloride 
Assign. Shift(ppm)
A 2.594 B 1.905 C 1.145
Hz ppm Int.1052.49 2.634 326 1047.85 2.622 95 1046.63 2.619 167 1044.68 2.614 280 1042.48 2.609 147 1041.26 2.606 127 1037.84 2.597 355 1036.74 2.595 407 1033.08 2.585 94 1031.86 2.582 164 1030.03 2.578 276 1027.83 2.572 139 1026.49 2.569 117 1022.09 2.558 354 1020.26 2.553 92 779.05 1.950 160 771.48 1.931 204 769.04 1.925 112 763.31 1.910 225 761.47 1.906 210 755.74 1.892 210 753.91 1.887 219 748.41 1.873 120 745.73 1.866 212 738.28 1.848 155 466.31 1.167 547 463.99 1.161 547 458.98 1.149 971 456.54 1.143 1000 451.54 1.130 528 449.10 1.124 524
in CDCl3
liquid film (CONTAINS ca 5% ISOPROPYL ISOMER)
4880 A,200 M,liquid
