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CHOLINE CHLORIDE, DIHYDROGEN PHOSPHATE, CALCIUM SALT, TETRAHYDRATE

View entire compound with spectra: 1 NMR, 3 FTIR, and 1 Raman

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

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID KnL11eKKJUm
Name phosphorylcholine chloride, calcium salt tetrahydrate
Source of Sample Aldrich
Catalog Number 250457
CAS Registry Number 72556-74-2
Classification Non-aromatic phosphorus compounds
Copyright Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H21CaClNO8P
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
Purity 98%
Solvent Nujol
Source of Spectrum Sigma-Aldrich Co. LLC.
Technique Mull
Wiley ID SIAL_FTIR_1_4748