| SpectraBase Compound ID | GapEBvUYEBS |
|---|---|
| InChI | InChI=1S/C15H8O5/c16-6-7-4-9-13(11(18)5-7)15(20)12-8(14(9)19)2-1-3-10(12)17/h1-6,17-18H |
| InChIKey | NJCKPHTYGRPUNK-UHFFFAOYSA-N |
| Mol Weight | 268.22 g/mol |
| Molecular Formula | C15H8O5 |
| Exact Mass | 268.037173 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F2F5TqEyrWj |
|---|---|
| Name | Rheinal |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.037173353 u |
| Formula | C15H8O5 |
| InChI | InChI=1S/C15H8O5/c16-6-7-4-9-13(11(18)5-7)15(20)12-8(14(9)19)2-1-3-10(12)17/h1-6,17-18H |
| InChIKey | NJCKPHTYGRPUNK-UHFFFAOYSA-N |
| SMILES | C1=2C(C=3C(O)=CC=CC3C(C2C=C(C=C1O)C=O)=O)=O |