| SpectraBase Compound ID | KabnqlNOak1 |
|---|---|
| InChI | InChI=1S/C8H7NO6S/c9-6-2-1-4(16(13,14)15)3-5(6)7(10)8(11)12/h1-3H,9H2,(H,11,12)(H,13,14,15)/p-1 |
| InChIKey | PEXOQNGKPQCEJB-UHFFFAOYSA-M |
| Mol Weight | 244.2 g/mol |
| Molecular Formula | C8H6NO6S |
| Exact Mass | 243.991583 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7OWHONfBdCb |
|---|---|
| Name | 5-SULFONATOISATATE |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C8H6NO6S |
| InChI | InChI=1S/C8H7NO6S/c9-6-2-1-4(16(13,14)15)3-5(6)7(10)8(11)12/h1-3H,9H2,(H,11,12)(H,13,14,15)/p-1 |
| InChIKey | PEXOQNGKPQCEJB-UHFFFAOYSA-M |
| Literature Reference Author | H.STUENZI |
| Literature Reference Citation | AUSTR.J.CHEM.,34,365(1981) |
| Literature Reference DOI | 10.1071/ch9810365 |
| Molecular Weight | 244.199 g/mol |
| Solvent | D2O;PKA=3.44 |
| Source File Reference | UWCS7664 |