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DL-Isocitric acid trisodium salt hydrate

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

DL-Isocitric acid trisodium salt hydrate
SpectraBase Compound ID 8VGRjiztea7
InChI InChI=1S/C6H8O7.3Na.H2O/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);;;;1H2/q;3*+1;/p-3
InChIKey BPEHKAXIRZOKIS-UHFFFAOYSA-K
Mol Weight 276.08330785 g/mol
Molecular Formula C6H7Na3O8
Exact Mass 275.9834 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID 22ATrq8pDZl
Name DL-Isocitric acid trisodium salt hydrate
Source of Sample Aldrich
Catalog Number 220086
CAS Registry Number 1637-73-6
Comments MW calculated on anhydrous base
Copyright Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H5Na3O7*xH2O
InChI InChI=1S/C6H8O7.3Na.H2O/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);;;;1H2/q;3*+1;/p-3
InChIKey BPEHKAXIRZOKIS-UHFFFAOYSA-K
Purity 97%
Synonyms threo-DsLs-Isocitric acid trisodium salt hydrate
Wiley ID SIAL_ATR-IR_011092