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D-Pantothenic acid sodium salt

View entire compound with spectra: 2 NMR, and 1 FTIR

D-Pantothenic acid sodium salt
SpectraBase Compound ID BxAjue8H4oR
InChI InChI=1S/C9H17NO5.Na/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13;/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13);/q;+1/p-1/t7-;/m0./s1
InChIKey GQTHJBOWLPZUOI-FJXQXJEOSA-M
Mol Weight 241.22 g/mol
Molecular Formula C9H16NNaO5
Exact Mass 241.092617 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GoXebnjwbCl
Name D-Pantothenic acid sodium salt
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 283169
CAS Registry Number 867-81-2
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16NNaO5
InChI InChI=1S/C9H17NO5.Na/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13;/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13);/q;+1/p-1/t7-;/m0./s1
InChIKey GQTHJBOWLPZUOI-FJXQXJEOSA-M
Observed nucleus 1H
Purity 5% isopropanol as solvent of crystallization, 95%
Solvent D2O
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms (+)-Pantothenic acid sodium salt, (R)-N-(2,4-Dihydroxy-3,3-dimethyl-1-oxobutyl)-beta-alanine sodium salt
Wiley ID SIAL_1HNMR_005236