Diisopropanolamine(110-97-4) 13C NMR
Product NameDiisopropanolamine
CAS110-97-4
Molecular FormulaC6H15NO2
Molecular Weight133.19
InChIInChI=1S/C6H15NO2/c1-5(8)3-7-4-6(2)9/h5-9H,3-4H2,1-2H3
InChIKey LVTYICIALWPMFW-UHFFFAOYSA-N
SmilesN(CC(O)C)CC(O)C
-
MassMS-NW-0500 1,1'-iminodi-2-propanol C6H15NO2 (Mass of molecular ion: 133)
Source Temperature: 140 °C Sample Temperature: 110 °C Direct, 75 eV
15.0 9.0 18.0 2.7 19.0 2.8 26.0 1.0 27.0 8.6 28.0 15.3 29.0 5.4 30.0 47.9 31.0 15.4 39.0 5.7 40.0 1.2 41.0 41.4 42.0 86.3 43.0 16.7 44.0 13.4 45.0 10.5 54.0 1.1 55.0 1.8 56.0 6.5 57.0 2.1 58.0 4.6 59.0 5.0 60.0 1.2 68.0 1.6 70.0 89.7 71.0 5.0 72.0 11.1 84.0 2.8 88.0 100.0 89.0 6.3 98.0 3.2 100.0 2.6 102.0 3.0 118.0 4.7 133.0 1.1 134.0 1.1
90 MHz in CDCl3
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1H NMR 89.56 MHz C6 H15 N O2 0.042 g : 0.5 ml CDCl3 1,1'-iminodi-2-propanol 
Assign. Shift(ppm)
A 3.85 B 3.39 C *1 2.62 D *1 2.50 E 1.157
Hz ppm Int.303.38 3.388 330 248.13 2.771 40 244.69 2.733 54 241.94 2.702 29 236.13 2.637 157 233.88 2.612 212 233.00 2.602 274 229.56 2.564 251 225.25 2.516 127 220.75 2.465 127 217.38 2.428 46 213.06 2.379 26 208.63 2.330 44 106.75 1.192 1000 100.50 1.123 945
in CDCl3
CCl4 solution
KBr disc
liquid film
