| SpectraBase Compound ID | Bb4YPD1FBmG |
|---|---|
| InChI | InChI=1S/C20H16O11S2.3K.3H2O/c21-19(22)17-3-1-2-4-18(17)20(23,13-5-9-15(10-6-13)30-32(24,25)26)14-7-11-16(12-8-14)31-33(27,28)29;;;;;;/h1-12,23H,(H,21,22)(H,24,25,26)(H,27,28,29);;;;3*1H2/q;3*+1;;;/p-3 |
| InChIKey | UDSPJIKXLFFJAN-UHFFFAOYSA-K |
| Mol Weight | 664.773 g/mol |
| Molecular Formula | C20H19K3O14S2 |
| Exact Mass | 663.912742 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6K6YCto2Ls5 |
|---|---|
| Name | alpha,alpha-bis(p-hydroxyphenyl)-alpha-hydroxy-o-toluic acid, disulfate, tripotassium salt, trihydrate |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H19K3O14S2 |
| InChI | InChI=1S/C20H16O11S2.3K.3H2O/c21-19(22)17-3-1-2-4-18(17)20(23,13-5-9-15(10-6-13)30-32(24,25)26)14-7-11-16(12-8-14)31-33(27,28)29;;;;;;/h1-12,23H,(H,21,22)(H,24,25,26)(H,27,28,29);;;;3*1H2/q;3*+1;;;/p-3 |
| InChIKey | UDSPJIKXLFFJAN-UHFFFAOYSA-K |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 47927M |
| Solvent | D2O |