123-90-0

硫代吗啉(123-90-0)核磁图(¹³CNMR)

产品名称:硫代吗啉

CAS:123-90-0

分子式:C4H9NS

分子量: 103.19

InChI:InChI=1S/C4H9NS/c1-3-6-4-2-5-1/h5H,1-4H2

InChIKey: BRNULMACUQOKMR-UHFFFAOYSA-N

Smiles:N1CCSCC1

Mass

MS-IW-1311          
thiomorpholine
C4H9NS              (Mass of molecular ion:    103)

   Source Temperature: 250 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      15.0       1.7
      26.0       1.4
      27.0       5.9
      28.0      21.1
      29.0      25.6
      30.0      20.9
      40.0       1.1
      41.0       4.5
      42.0      33.2
      43.0       3.9
      44.0       9.0
      45.0       8.0
      46.0      17.3
      47.0       4.1
      48.0       1.6
      54.0       1.8
      55.0       2.0
      56.0      46.9
      57.0      85.3
      58.0       4.3
      59.0       4.4
      60.0       1.3
      61.0       8.8
      74.0       6.3
      75.0       5.0
      88.0      27.7
      89.0       1.3
      90.0       1.3
     102.0       2.9
     103.0     100.0
     104.0       6.4
     105.0       4.7

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₄ H₉ N S	0.05 ml : 0.5 ml CDCl₃
thiomorpholine

    Assign.     Shift(ppm)

      A             3.102
      B             2.589
      C             2.06

     Hz     ppm     Int.

   1244.87   3.115    924
   1241.94   3.108    545
   1239.75   3.103    816
   1237.06   3.096    516
   1234.50   3.089    927
   1039.92   2.603   1000
   1037.11   2.596    545
   1034.67   2.589    876
   1032.47   2.584    525
   1029.42   2.576    876
    825.07   2.065    496

in CDCl3