623-57-4

3-二甲胺基-1,2-丙二醇(623-57-4)核磁图(¹³CNMR)

产品名称:3-二甲胺基-1,2-丙二醇

CAS:623-57-4

分子式:C5H13NO2

分子量: 119.16

InChI:InChI=1S/C5H13NO2/c1-6(2)3-5(8)4-7/h5,7-8H,3-4H2,1-2H3

InChIKey: QCMHUGYTOGXZIW-UHFFFAOYSA-N

Smiles:C(O)C(O)CN(C)C

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-0916          
(+-)-3-(dimethylamino)-1,2-propanediol
C5H13NO2            (Mass of molecular ion:    119)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       1.1
      28.0       1.3
      29.0       1.5
      30.0       5.8
      42.0       5.3
      43.0       2.6
      44.0       8.4
      45.0       3.8
      56.0       1.1
      57.0       2.4
      58.0     100.0
      59.0       4.4
      88.0      13.0
     119.0       2.9

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₅ H₁₃ N O₂	0.05 ml : 0.5 ml CDCl₃
(+-)-3-(dimethylamino)-1,2-propanediol

    Assign.     Shift(ppm)

      A             4.8
      B             3.791
      C     *1      3.624
      D     *1      3.485
      E     *2      2.486
      F             2.281
      G     *2      2.235
     
     J(B,C)=3.8HZ
     J(B,D)=5.7HZ
     J(B,E)=9.0HZ
     J(B,G)=4.0HZ
     J(C,D)=-11.4HZ
     J(E,G)=-12.5HZ

     Hz     ppm     Int.

   1914.31   4.790     54
   1523.19   3.812     47
   1521.48   3.808     35
   1517.46   3.797     61
   1514.04   3.789     58
   1510.38   3.780     34
   1508.54   3.775     49
   1456.67   3.645     90
   1452.88   3.636     81
   1445.31   3.617    126
   1441.41   3.607    109
   1400.51   3.505    120
   1394.78   3.491    111
   1389.16   3.476     88
   1383.42   3.462     79
   1004.88   2.515     78
    995.85   2.492     80
    992.43   2.484     96
    983.40   2.461     92
    911.87   2.282   1000
    900.63   2.254    120
    899.17   2.250     66
    896.61   2.244    113
    888.18   2.223     94
    884.03   2.213     88

in CDCl3