Choline chloride(67-48-1) 1H NMR
Product NameCholine chloride
CAS67-48-1
Molecular FormulaC5H14ClNO
Molecular Weight139.62
InChIInChI=1S/C5H14NO.ClH/c1-6(2,3)4-5-7;/h7H,4-5H2,1-3H3;1H/q+1;/p-1
InChIKey SGMZJAMFUVOLNK-UHFFFAOYSA-M
SmilesC(CO)[N+](C)(C)C.[Cl-]
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Assign. Shift(ppm)
A 4.070 B 3.544 C 3.222 SOLVENT PEAK REMOVEDSpectral Code: 1H NMR : 400 MHz in D2O
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ppm Int. Assign.
68.18 241 1 N-14 68.15 309 1 N-14 68.12 345 1 N-14 56.34 705 2 54.72 726 3 N-14 54.68 920 3 N-14 54.65 1000 3 N-14Spectral Code: 13C NMR : in D2O
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Spectral Code: IR : KBr disc
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Spectral Code: Raman : 4880 A,200 M,liquid
