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DL-isocitric acid, trisodium salt

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DL-isocitric acid, trisodium salt
SpectraBase Compound ID BRfZnQlpBZy
InChI InChI=1S/C6H8O7.3Na/c7-3(8)1-2(5(10)11)4(9)6(12)13;;;/h2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13);;;/q;3*+1/p-3
InChIKey HWMVXEKEEAIYGB-UHFFFAOYSA-K
Mol Weight 258.06830785 g/mol
Molecular Formula C6H5Na3O7
Exact Mass 257.972835 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2zP6omW1VSV
Name DL-isocitric acid, trisodium salt
Source of Sample Fluka AG, Buchs, Switzerland
CAS Registry Number 13167-87-8
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H5Na3O7
InChI InChI=1S/C6H8O7.3Na/c7-3(8)1-2(5(10)11)4(9)6(12)13;;;/h2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13);;;/q;3*+1/p-3
InChIKey HWMVXEKEEAIYGB-UHFFFAOYSA-K
Molecular Weight 258.07
Solvent Deuterium oxide; Reference=Dioxane Spectrometer= Varian CFT-20
Synonyms ISOCITRIC ACID, TRISODIUM SALT, DL-,