111-42-2

Diethanolamine(111-42-2) ¹³C NMR

Product NameDiethanolamine

CAS 111-42-2

Molecular FormulaC4H11NO2

Molecular Weight105.14

InChIInChI=1S/C4H11NO2/c6-3-1-5-2-4-7/h5-7H,1-4H2

InChIKey ZBCBWPMODOFKDW-UHFFFAOYSA-N

SmilesN(CCO)CCO

Request For Quotation

Diethanolamine(111-42-2) <sup>13</sup>C NMR
Mass

MS-NW-0596          
2,2'-iminodiethanol
C4H11NO2            (Mass of molecular ion:    105)

   Source Temperature: 280 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      15.0       5.0
      17.0       2.3
      18.0      11.6
      19.0       2.7
      26.0       1.3
      27.0       7.3
      28.0      14.5
      29.0       5.9
      30.0      44.4
      31.0       4.2
      41.0       3.4
      42.0      10.6
      43.0       5.5
      44.0       5.5
      45.0      16.3
      54.0       1.7
      55.0       1.2
      56.0      51.2
      57.0       3.8
      58.0       1.9
      60.0       1.5
      72.0       1.5
      74.0     100.0
      75.0       3.9
      86.0       2.3
     105.0       1.1

in CDCl3

90 MHz in CDCl3

Diethanolamine(111-42-2) <sup>13</sup>C NMR

¹H NMR	89.56 MHz
C₄ H₁₁ N O₂	0.04 ml : 0.5 ml CDCl₃
2,2'-iminodiethanol

    Assign.     Shift(ppm)

      A             4.20
      B             3.677
      C             2.745

     Hz     ppm     Int.

    376.44   4.204   1000
    334.75   3.738    348
    330.00   3.685    496
    324.63   3.625    455
    250.75   2.800    433
    245.44   2.741    493
    240.69   2.688    352

in CDCl3