Hexamethylphosphoramide(680-31-9) 13C NMR
Product NameHexamethylphosphoramide
CAS680-31-9
Molecular FormulaC6H18N3OP
Molecular Weight179.2
InChIInChI=1S/C6H18N3OP/c1-7(2)11(10,8(3)4)9(5)6/h1-6H3
InChIKey GNOIPBMMFNIUFM-UHFFFAOYSA-N
SmilesP(N(C)C)(N(C)C)(N(C)C)=O
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MassMS-NW-3747 hexamethylphosphoric triamide C6H18N3OP (Mass of molecular ion: 179)
Source Temperature: 280 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 6.2 18.0 3.7 28.0 3.4 30.0 2.5 41.0 1.1 42.0 21.7 43.0 6.1 44.0 100.0 45.0 80.6 46.0 20.1 47.0 3.2 49.0 1.4 58.0 3.0 60.0 2.8 73.0 2.0 75.0 1.5 76.0 4.2 78.0 1.0 88.0 1.7 88.5 1.0 90.0 4.7 91.0 3.8 92.0 23.2 93.0 6.8 119.0 2.0 121.0 1.2 134.0 1.0 135.0 92.3 136.0 26.2 137.0 1.6 179.0 37.2 180.0 3.1
400 MHz in CDCl3
90 MHz in CDCl3
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1H NMR 399.65 MHz C6 H18 N3 O P 0.05 ml : 0.5 ml CDCl3 hexamethylphosphoric triamide 
Assign. Shift(ppm)
A 2.657
Hz ppm Int.1080.32 2.704 21 1075.20 2.691 39 1066.41 2.669 988 1057.13 2.646 1000 1045.65 2.617 36
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1H NMR 89.56 MHz C6 H18 N3 O P 0.04 ml : 0.5 ml CDCl3 hexamethylphosphoric triamide Assign. Shift(ppm)
A 2.651 J(A,P-31)=9.3HZ
Hz ppm Int.242.13 2.704 1000 232.81 2.600 996
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
