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CITRIC ACID, CALCIUM SALT (2:3), TETRAHYDRATE
SpectraBase Compound ID FXpCU14bzDK
InChI InChI=1S/2C6H8O7.3Ca.4H2O/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;;;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;;4*1H2/q;;3*+2;;;;/p-6
InChIKey LNIZKKFWMDARJV-UHFFFAOYSA-H
Mol Weight 570.493 g/mol
Molecular Formula C12H18Ca3O18
Exact Mass 569.937086 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 89bBiYu9yS2
Name 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, ion(3-), tricalcium salt, tetrahydrate
Source of Sample E. Merck AG, Darmstadt
CAS Registry Number 813-94-5
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Formula C12H18Ca3O18
InChI InChI=1S/2C6H8O7.3Ca.4H2O/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;;;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;;4*1H2/q;;3*+2;;;;/p-6
InChIKey LNIZKKFWMDARJV-UHFFFAOYSA-H
Instrument Name Bruker IFS 85
Purity 99%
Synonyms Tricalcium dicitrate, * 4 H2O
Technique KBr-Pellet