| SpectraBase Compound ID | 9aGSvmjbhNd |
|---|---|
| InChI | InChI=1S/C7H6O5S.Na/c8-7(9)5-2-1-3-6(4-5)13(10,11)12;/h1-4H,(H,8,9)(H,10,11,12);/q;+1/p-1 |
| InChIKey | KQHKITXZJDOIOD-UHFFFAOYSA-M |
| Mol Weight | 224.16 g/mol |
| Molecular Formula | C7H5NaO5S |
| Exact Mass | 223.975539 g/mol |
13C Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | GcgtvrStdLy |
|---|---|
| Name | Sodium 3-sulfobenzoate |
| Source of Sample | Sigma-Aldrich Co. LLC. |
| Catalog Number | 375411 |
| CAS Registry Number | 17625-03-5 |
| Copyright | Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C7H5NaO5S |
| InChI | InChI=1S/C7H6O5S.Na/c8-7(9)5-2-1-3-6(4-5)13(10,11)12;/h1-4H,(H,8,9)(H,10,11,12);/q;+1/p-1 |
| InChIKey | KQHKITXZJDOIOD-UHFFFAOYSA-M |
| Observed nucleus | 13C |
| Purity | 97% |
| Solvent | DMSO-d6 |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Synonyms | 3-Carboxybenzenesulfonic acid sodium salt; 3-Sulfobenzoic acid sodium salt |
| Wiley ID | SIAL_13CNMR_008085 |