Diisopropyl ether(108-20-3) 13C NMR
Product NameDiisopropyl ether
CAS108-20-3
Molecular FormulaC6H14O
Molecular Weight102.17
InChIInChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3
InChIKey ZAFNJMIOTHYJRJ-UHFFFAOYSA-N
SmilesO(C(C)C)C(C)C
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MassMS2015-05275CW diisopropyl ether C6H14O (Mass of molecular ion: 102)
Source Temperature: 250 °C Sample Temperature: 250 °C Reservoir, 70 eV
15.0 1.3 27.0 6.8 29.0 1.1 31.0 2.2 38.0 1.6 39.0 9.9 40.0 2.7 41.0 20.4 42.0 7.8 43.0 38.4 44.0 1.8 45.0 100.0 46.0 2.2 58.0 1.0 59.0 12.7 69.0 5.6 87.0 36.9 88.0 2.1 102.0 1.9
parameter in CDCl3
in CDCl3
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1H NMR 300 MHz C6 H14 O 0.04 ml : 0.5 ml CDCl3 diisopropyl ether 
Parameter ppm Hz
D(A) 1.130 D(B) 3.640 J(A,B) 6.10
Hz ppm Int.1104.28 3.681 30 1098.16 3.661 75 1092.07 3.640 101 1085.98 3.620 77 1079.88 3.600 32 342.06 1.140 1000 335.96 1.120 982
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in CDCl3
CCl4 solution
liquid film
4880 A,100M,liquid
