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返回ChemicalBook首页>CAS数据库列表>68399-77-9更多图谱> 3-(N-吗啉基)-2-羟基丙磺酸(68399-77-9)核磁图(1HNMR)

68399-77-9

3-(N-吗啉基)-2-羟基丙磺酸(68399-77-9)核磁图(1HNMR)

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

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    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

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

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KBr disc

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nujol mull

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