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返回ChemicalBook首页>CAS数据库列表>68399-80-4更多图谱> 3-[N,N-二(羟乙基)氨基]-2-羟基丙磺酸(68399-80-4)红外图谱(IR1)

68399-80-4

3-[N,N-二(羟乙基)氨基]-2-羟基丙磺酸(68399-80-4)红外图谱(IR1)

分子式:C7H17NO6S

分子量: 243.28

InChI:InChI=1S/C7H17NO6S/c9-3-1-8(2-4-10)5-7(11)6-15(12,13)14/h7,9-11H,1-6H2,(H,12,13,14)

InChIKey: XCBLFURAFHFFJF-UHFFFAOYSA-N

Smiles:C(S(O)(=O)=O)C(O)CN(CCO)CCO

400 MHz in D2O

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    1H NMR 399.65 MHz
    C7 H17 N O6 S 0.040 g : 0.5 ml D2O
    3-bis(2-hydroxyethyl)amino-2-hydroxy-1-propanesulfonic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.535 B 3.973 C *1 3.647 D *2 3.549 E *2 3.510 F *1 3.45 G *3 3.200 J *3 3.167 SOLVENT PEAK REMOVED

         Hz     ppm     Int.
    

       1825.44   4.568     51
       1822.63   4.561     56
       1819.46   4.553    106
       1816.65   4.546    122
       1814.70   4.541     89
       1813.35   4.538     83
       1811.89   4.534     84
       1810.55   4.531     86
       1808.72   4.526    131
       1805.91   4.519    112
       1802.61   4.511     64
       1801.15   4.507     33
       1799.93   4.504     56
       1593.26   3.987    686
       1588.75   3.976   1000
       1587.52   3.973    916
       1582.89   3.961    769
       1575.68   3.943     31
       1575.32   3.942     31
       1466.92   3.671    170
       1464.11   3.664    178
       1453.37   3.637    241
       1450.56   3.630    233
       1432.98   3.586     96
       1427.12   3.571    174
       1419.19   3.552    309
       1413.33   3.537    584
       1407.35   3.522    542
       1402.95   3.511    612
       1398.44   3.500    310
       1393.68   3.488    124
       1389.04   3.476    216
       1387.08   3.471    262
       1384.89   3.466    114
       1376.22   3.444    225
       1373.41   3.437    185
       1362.67   3.410    163
       1293.95   3.238     93
       1287.84   3.223     92
       1279.54   3.202    386
       1273.44   3.187    406
       1271.36   3.182    420
       1265.50   3.167    385
       1256.96   3.146    104
       1251.10   3.131     95
    

KBr disc

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nujol mull

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