Diisopropanolamine(110-97-4) ¹H NMR

Product NameDiisopropanolamine

CAS 110-97-4

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

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Mass

MS-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

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