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(IR2)

产品名称:3-[N,N-二(羟乙基)氨基]-2-羟基丙磺酸

CAS:68399-80-4

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

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

    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