| 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 |
13C Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | 2ItYriCjT0m |
|---|---|
| Name | DL-Isocitric acid trisodium salt hydrate |
| Source of Sample | Sigma-Aldrich Co. LLC. |
| Catalog Number | 220086 |
| CAS Registry Number | 1637-73-6 |
| Copyright | Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C6H7Na3O8 |
| 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 |
| Observed nucleus | 13C |
| Purity | 97% |
| Solvent | D2O |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Synonyms | threo-DsLs-Isocitric acid trisodium salt hydrate |
| Wiley ID | SIAL_13CNMR_003236 |