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D-Pantothenic acid, hemicalcium salt

View entire compound with spectra: 4 NMR, and 3 FTIR

D-Pantothenic acid, hemicalcium salt
SpectraBase Compound ID ZEk9KlacXw
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/t2*7-;/m00./s1
InChIKey FAPWYRCQGJNNSJ-UBKPKTQASA-L
Mol Weight 476.5 g/mol
Molecular Formula C18H32CaN2O10
Exact Mass 476.168286 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KQNBkMc84zu
Name PANTOTHENIC ACID, CALCIUM SALT
Source of Sample Fluka AG, Buchs, Switzerland
Copyright Copyright © 1980, 1981-2024 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/t2*7-;/m00./s1
InChIKey FAPWYRCQGJNNSJ-UBKPKTQASA-L
Melting Point 198-200C
Molecular Weight 476.54
Solvent Deuterium oxide; Reference=Dioxane Spectrometer= Varian CFT-20
Synonyms B-ALANINE, N-/2,4-DIHYDROXY-3,3- DIMETHYLBUTYRYL/-, CALCIUM SALT