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D-gluconic acid, calcium salt

View entire compound with spectra: 3 FTIR, 1 Raman, and 2 MS (GC)

D-gluconic acid, calcium salt
SpectraBase Compound ID WZLxw1aD0C
InChI InChI=1S/2C6H12O7.Ca/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;/h2*2-5,7-11H,1H2,(H,12,13);/q;;+2/p-2/t2*2-,3-,4+,5-;/m11./s1
InChIKey NEEHYRZPVYRGPP-IYEMJOQQSA-L
Mol Weight 430.37 g/mol
Molecular Formula C12H22CaO14
Exact Mass 430.063546 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Em76dlIUaJd
Name calcium gluconate
Appearance Crystal
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22CaO14
InChI InChI=1S/2C6H12O7.Ca/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;/h2*2-5,7-11H,1H2,(H,12,13);/q;;+2/p-2/t2*2-,3-,4+,5-;/m11./s1
InChIKey NEEHYRZPVYRGPP-IYEMJOQQSA-L
Instrument Name MAT-212
Ionization Type EI
Molecular Weight 430.372 g/mol
SMILES OC[C@]([C@]([C@@]([C@@](O)(C([O-])=O)[H])(O)[H])(O)[H])(O)[H].[Ca+2].OC[C@]([C@]([C@@]([C@@](O)(C([O-])=O)[H])(O)[H])(O)[H])(O)[H]
SPLASH splash10-06r2-9200000000-90e3920649d2e7732e5f
Source of Spectrum CN101827807A
Wiley ID 1874715