68399-77-9

3-(N-吗啉基)-2-羟基丙磺酸(68399-77-9)红外图谱(IR2)

产品名称:3-(N-吗啉基)-2-羟基丙磺酸

CAS:68399-77-9

分子式:C7H15NO5S

分子量: 225.26

InChI:InChI=1S/C7H15NO5S/c9-7(6-14(10,11)12)5-8-1-3-13-4-2-8/h7,9H,1-6H2,(H,10,11,12)

InChIKey: NUFBIAUZAMHTSP-UHFFFAOYSA-N

Smiles:C(N1CCOCC1)C(O)CS(O)(=O)=O

Mass

MS-NW-7365          
2-hydroxy-3-morpholino-1-propanesulfonic acid
C7H15NO5S           (Mass of molecular ion:    225)

   Source Temperature: 190 °C
   Sample Temperature: 210 °C
   Direct, 75 eV

      15.0       2.8
      17.0       2.0
      18.0       6.8
      26.0       1.8
      27.0       7.8
      28.0      13.1
      29.0       8.6
      30.0       6.8
      31.0       3.1
      32.0       1.1
      39.0       6.7
      40.0       1.7
      41.0      21.3
      42.0      26.5
      43.0      14.4
      44.0       5.7
      45.0       2.6
      48.0       6.3
      54.0       5.9
      55.0      16.8
      56.0      24.3
      57.0      14.2
      58.0       3.0
      64.0      16.5
      65.0       1.3
      67.0       1.4
      68.0      10.2
      69.0       8.6
      70.0       8.3
      71.0       2.3
      72.0       2.9
      73.0       1.1
      82.0       7.7
      83.0       4.4
      84.0       3.2
      85.0       2.7
      86.0      21.3
      87.0       5.7
      88.0       1.2
      96.0       6.2
      97.0       2.4
      98.0       3.9
     100.0     100.0
     101.0       7.2
     112.0       4.0
     113.0      17.0
     114.0       1.9
     126.0       3.1
     127.0      15.2
     128.0      12.5
     129.0       1.1
     130.0       4.2
     144.0       1.0
     145.0      11.0
     146.0       1.1
     207.0       1.4

400 MHz in D2O

¹H NMR	399.65 MHz
C₇ H₁₅ N O₅ S	0.043 g : 0.5 ml D₂O
2-hydroxy-3-morpholino-1-propanesulfonic acid

    Assign.     Shift(ppm)

      A             4.558
      B             4.01
      C             3.5
      D     *1      3.463
      E     *1      3.339
      F     *2      3.158
      G     *2      3.134

     Hz     ppm     Int.

   1834.84   4.592     93
   1831.91   4.584     99
   1828.98   4.577    153
   1826.05   4.570    168
   1824.10   4.565    145
   1822.88   4.562    131
   1821.17   4.557    131
   1819.95   4.554    141
   1818.36   4.550    190
   1815.31   4.543    172
   1812.13   4.535    120
   1809.20   4.527    111
   1601.68   4.008    204
   1393.43   3.487    355
   1390.63   3.480    377
   1380.00   3.454    539
   1377.20   3.447    518
   1345.09   3.366    484
   1334.35   3.339    456
   1331.67   3.333    322
   1320.92   3.306    297
   1277.59   3.197    150
   1275.63   3.192     34
   1274.78   3.190     35
   1271.24   3.181    140
   1269.04   3.176     46
   1263.18   3.161    747
   1257.57   3.147    942
   1256.96   3.146   1000
   1251.95   3.133    757
   1246.34   3.119     73
   1243.16   3.111    164
   1237.55   3.097    141

in D2O