| SpectraBase Compound ID | 9u6prtcCd0L |
|---|---|
| InChI | InChI=1S/C13H16O11S/c14-9-8(5-22-25(19,20)21)24-13(11(16)10(9)15)23-7-3-1-6(2-4-7)12(17)18/h1-4,8-11,13-16H,5H2,(H,17,18)(H,19,20,21)/t8-,9-,10+,11-,13-/m1/s1 |
| InChIKey | BJNRLZLNIUCLKY-BZNQNGANSA-N |
| Mol Weight | 380.32 g/mol |
| Molecular Formula | C13H16O11S |
| Exact Mass | 380.041332 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DJwYMhWyP20 |
|---|---|
| Name | 4-Hydroxy-benzoic acid, B-D-glucoside 6'-sulfate |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C13H16O11S |
| InChI | InChI=1S/C13H16O11S/c14-9-8(5-22-25(19,20)21)24-13(11(16)10(9)15)23-7-3-1-6(2-4-7)12(17)18/h1-4,8-11,13-16H,5H2,(H,17,18)(H,19,20,21)/t8-,9-,10+,11-,13-/m1/s1 |
| InChIKey | BJNRLZLNIUCLKY-BZNQNGANSA-N |
| Instrument Name | Bruker WM-300 |
| Literature Reference | H. Schildknecht, K. Schumacher, Chemiker-Zeitung 107, 233 (1983). |
| NMR Standard | TMS-PRSO3 Na |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | D2O |