Choline bitartrate(87-67-2) IR2
Product NameCholine bitartrate
CAS87-67-2
Molecular FormulaC9H19NO7
Molecular Weight253.25
InChIInChI=1S/C5H14NO.C4H6O6/c1-6(2,3)4-5-7;5-1(3(7)8)2(6)4(9)10/h7H,4-5H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)/q+1;/p-1
InChIKey QWJSAWXRUVVRLH-UHFFFAOYSA-M
SmilesC(O)(C(=O)O)C(O)C([O-])=O.C(CO)[N+](C)(C)C
90 MHz in D2O
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1H NMR 89.56 MHz C9 H19 N O7 0.074 g : 0.5 ml D2O choline bitartrate 
Assign. Shift(ppm)
B 4.504 C 4.04 D 3.50 E 3.181 THE SOLVENT SIGNAL REMOVED.
Hz ppm Int.403.44 4.505 286 370.50 4.137 23 370.13 4.133 23 367.00 4.098 34 365.31 4.079 51 364.31 4.068 41 363.25 4.056 53 361.63 4.038 40 360.56 4.026 86 357.88 3.996 67 355.13 3.966 43 318.13 3.553 87 315.25 3.520 53 313.00 3.495 73 311.75 3.481 53 308.19 3.442 57 285.06 3.183 1000
in D2O
KBr disc
nujol mull
4880 A,200 M,powder
