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CHOLINE CHLORIDE, DIHYDROGEN PHOSPHATE, CALCIUM SALT, TETRAHYDRATE

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CHOLINE CHLORIDE, DIHYDROGEN PHOSPHATE, CALCIUM SALT, TETRAHYDRATE
SpectraBase Compound ID GOU1WskxkdI
InChI InChI=1S/C5H14NO4P.Ca.ClH.4H2O/c1-6(2,3)4-5-10-11(7,8)9;;;;;;/h4-5H2,1-3H3,(H-,7,8,9);;1H;4*1H2/q;+2;;;;;/p-2
InChIKey JGULOZKZZMBGFX-UHFFFAOYSA-L
Mol Weight 329.727 g/mol
Molecular Formula C5H21CaClNO8P
Exact Mass 329.031922 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E1OtovhhiWm
Name CHOLINE CHLORIDE, DIHYDROGEN PHOSPHATE, CALCIUM SALT, TETRAHYDRATE
Source of Sample Fluka AG, Buchs, Switzerland
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H13CaClNO4P 4H2O
InChI InChI=1S/C5H14NO4P.Ca.ClH.4H2O/c1-6(2,3)4-5-10-11(7,8)9;;;;;;/h4-5H2,1-3H3,(H-,7,8,9);;1H;4*1H2/q;+2;;;;;/p-2
InChIKey JGULOZKZZMBGFX-UHFFFAOYSA-L
Molecular Weight 329.73
Solvent Deuterium oxide; Reference=Dioxane Spectrometer= Varian CFT-20
Synonyms CHOLINE CHLORIDE, DIHYDROGEN PHOSPHATE, CALCIUM SALT, TETRAHYDRATE