Sodium hydrogen piperazine-1,4-diethanesulphonate(10010-67-0) IR1
Product NameSodium hydrogen piperazine-1,4-diethanesulphonate
CAS10010-67-0
Molecular FormulaC8H19N2NaO6S2
Molecular Weight326.36
InChIInChI=1S/C8H18N2O6S2.Na/c11-17(12,13)7-5-9-1-2-10(4-3-9)6-8-18(14,15)16;/h1-8H2,(H,11,12,13)(H,14,15,16);/q;+1/p-1
InChIKey OGGAIRCLBMGXCZ-UHFFFAOYSA-M
SmilesS(=O)(=O)(O)CCN1CCN(CCS([O-])(=O)=O)CC1.[Na+]
400 MHz in D2O
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1H NMR 399.65 MHz C8 H17 N2 Na O6 S2 0.041 g : 0.5 ml D2O 1,4-piperazinediethanesulfonic acid monosodium salt 
Assign. Shift(ppm)
A 3.218 B 3.104 C 2.97
Hz ppm Int.1295.29 3.242 406 1294.07 3.239 436 1288.57 3.225 701 1286.74 3.220 559 1283.57 3.212 546 1279.17 3.201 1000 1246.83 3.120 792 1242.55 3.110 467 1239.01 3.101 504 1237.55 3.097 583 1231.69 3.082 368 1186.52 2.969 405
KBr disc
nujol mull
