6425-32-7

3-(4-吗啉基)-1,2-丙烷二醇(6425-32-7)质谱(MS)

产品名称:3-(4-吗啉基)-1,2-丙烷二醇

CAS:6425-32-7

分子式:C7H15NO3

分子量: 161.2

InChI:InChI=1S/C7H15NO3/c9-6-7(10)5-8-1-3-11-4-2-8/h7,9-10H,1-6H2

InChIKey: VZBNUEHCOOXOHR-UHFFFAOYSA-N

Smiles:C(O)C(O)CN1CCOCC1

Mass

MS-NW-9482          
3-morpholino-1,2-propanediol
C7H15NO3            (Mass of molecular ion:    161)

   Source Temperature: 260 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       1.5
      27.0       1.6
      28.0       4.4
      29.0       3.2
      30.0       2.5
      31.0       1.6
      41.0       2.1
      42.0       9.6
      43.0       4.4
      44.0       2.1
      45.0       1.4
      55.0       1.1
      56.0      15.6
      57.0       3.2
      58.0       1.9
      70.0       4.1
      72.0       1.9
      86.0       1.1
      87.0       1.2
     100.0     100.0
     101.0       6.0
     102.0       1.0
     130.0       8.8
     161.0       1.7

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₇ H₁₅ N O₃	0.05 ml : 0.5 ml CDCl₃
3-morpholino-1,2-propanediol

    Assign.     Shift(ppm)

      A             3.97
      B             3.840
      C             3.72
      D     *1      3.677
      E     *1      3.506
      F     *2      2.62
      G     *3      2.516
      J     *2      2.46
      K     *3      2.369

     Hz     ppm     Int.

   1587.28   3.972    357
   1546.02   3.869     86
   1542.11   3.859    170
   1540.77   3.856    131
   1537.96   3.849    157
   1536.74   3.846    255
   1532.96   3.836    262
   1531.62   3.833    158
   1528.93   3.826    141
   1527.59   3.823    188
   1523.68   3.813    105
   1491.33   3.732    600
   1489.50   3.728    627
   1487.67   3.723    708
   1485.72   3.718   1000
   1483.89   3.713    675
   1481.93   3.709    653
   1480.22   3.704    597
   1477.42   3.697    485
   1473.63   3.688    400
   1468.63   3.675     92
   1465.94   3.669    505
   1462.16   3.659    456
   1409.06   3.526    468
   1403.69   3.513    444
   1397.58   3.498    368
   1392.21   3.484    341
   1058.96   2.650    150
   1054.08   2.638    208
   1047.73   2.622    251
   1042.72   2.610    319
   1038.33   2.599    197
   1017.70   2.547    300
   1008.54   2.524    293
   1005.13   2.516    426
    995.97   2.493    440
    992.19   2.483    192
    987.92   2.472    288
    982.54   2.459    227
    976.68   2.444    207
    971.92   2.432    143
    952.64   2.384    443
    948.49   2.374    458
    940.06   2.353    332
    935.91   2.342    320

in CDCl3