HEPES sodium salt(75277-39-3) IR1
Product NameHEPES sodium salt
CAS75277-39-3
Molecular FormulaC8H19N2NaO4S
Molecular Weight262.3
InChIInChI=1S/C8H18N2O4S.Na/c11-7-5-9-1-3-10(4-2-9)6-8-15(12,13)14;/h11H,1-8H2,(H,12,13,14);/q;+1/p-1
InChIKey RDZTWEVXRGYCFV-UHFFFAOYSA-M
SmilesS([O-])(=O)(=O)CCN1CCN(CCO)CC1.[Na+]
400 MHz in D2O
-
1H NMR 399.65 MHz C8 H17 N2 Na O4 S 0.042 g : 0.5 ml D2O 4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid sodium salt 
Assign. Shift(ppm)
A 3.734 B 3.119 C 2.815 D 2.585 SOLVENT PEAK REMOVED
Hz ppm Int.1505.13 3.767 30 1504.03 3.764 30 1503.17 3.762 38 1502.20 3.759 43 1501.46 3.757 49 1498.54 3.750 448 1494.75 3.741 118 1492.43 3.735 1000 1486.21 3.719 457 1255.49 3.142 355 1250.37 3.129 267 1247.19 3.121 364 1244.02 3.113 248 1243.29 3.111 271 1239.14 3.101 454 1133.67 2.837 494 1129.03 2.826 316 1124.88 2.815 389 1122.68 2.810 313 1121.95 2.808 301 1117.43 2.797 378 1039.55 2.602 551 1036.01 2.593 238 1033.33 2.586 970 1027.10 2.570 501
in D2O
KBr disc
nujol mull
