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DL-Pantothenic acid hemicalcium salt

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DL-Pantothenic acid hemicalcium salt
SpectraBase Compound ID EOnJ3XaTfva
InChI InChI=1S/2C9H17NO5.Ca/c2*1-9(2,5-11)7(14)8(15)10-4-3-6(12)13;/h2*7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13);/q;;+2/p-2
InChIKey FAPWYRCQGJNNSJ-UHFFFAOYSA-L
Mol Weight 476.5 g/mol
Molecular Formula C18H32CaN2O10
Exact Mass 476.168286 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 6FW6KGesJGU
Name DL-Pantothenic acid hemicalcium salt
Source of Sample Aldrich
Catalog Number 291854
CAS Registry Number 63409-48-3
Classification Non-aromatic amides
Copyright Copyright © 2018-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H32CaN2O10
InChI InChI=1S/2C9H17NO5.Ca/c2*1-9(2,5-11)7(14)8(15)10-4-3-6(12)13;/h2*7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13);/q;;+2/p-2
InChIKey FAPWYRCQGJNNSJ-UHFFFAOYSA-L
Purity 97%
Solvent Nujol
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms (+/-)-N-(2,4-Dihydroxy-3,3-dimethylbutyryl)-beta-alanine, DL-N-(2,4-Dihydroxy-3,3-dimethylbutyryl)-beta-alanine, Calcium pantothenate
Technique Mull
Wiley ID SIAL_FTIR_1_5919