DIPSO(68399-80-4) IR2
Product NameDIPSO
CAS68399-80-4
Molecular FormulaC7H17NO6S
Molecular Weight243.28
InChIInChI=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
SmilesC(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
nujol mull
