| SpectraBase Compound ID | 46TWgCoqq3h |
|---|---|
| InChI | InChI=1S/C8H5NO5S.Na.2H2O/c10-7-5-3-4(15(12,13)14)1-2-6(5)9-8(7)11;;;/h1-3H,(H,9,10,11)(H,12,13,14);;2*1H2/q;+1;;/p-1 |
| InChIKey | QOAFLTFHMZZJFP-UHFFFAOYSA-M |
| Mol Weight | 285.202 g/mol |
| Molecular Formula | C8H8NNaO7S |
| Exact Mass | 284.991917 g/mol |
13C Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | Av532ROdyPm |
|---|---|
| Name | 5-Isatinsulfonic acid, sodium salt dihydrate |
| Source of Sample | Sigma-Aldrich Co. LLC. |
| Catalog Number | 149330 |
| CAS Registry Number | 652154-08-0 |
| Copyright | Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H8NNaO7S |
| InChI | InChI=1S/C8H5NO5S.Na.2H2O/c10-7-5-3-4(15(12,13)14)1-2-6(5)9-8(7)11;;;/h1-3H,(H,9,10,11)(H,12,13,14);;2*1H2/q;+1;;/p-1 |
| InChIKey | QOAFLTFHMZZJFP-UHFFFAOYSA-M |
| Observed nucleus | 13C |
| Purity | 97% |
| Solvent | DMSO-d6 |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Wiley ID | SIAL_13CNMR_001472 |