| SpectraBase Compound ID | 8D801qbhDFE |
|---|---|
| InChI | InChI=1S/C20H16O5/c1-2-14-9-11-15(12-10-14)19(21)24-16-6-3-4-7-17(16)25-20(22)18-8-5-13-23-18/h3-13H,2H2,1H3 |
| InChIKey | ZVQDIZDRDFRHLY-UHFFFAOYSA-N |
| Mol Weight | 336.34 g/mol |
| Molecular Formula | C20H16O5 |
| Exact Mass | 336.099774 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DkqwwrdIGHT |
|---|---|
| Name | 1,2-Benzenediol, o-(4-ethylbenzoyl)-o'-(2-furoyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 336.099773610 u |
| Formula | C20H16O5 |
| InChI | InChI=1S/C20H16O5/c1-2-14-9-11-15(12-10-14)19(21)24-16-6-3-4-7-17(16)25-20(22)18-8-5-13-23-18/h3-13H,2H2,1H3 |
| InChIKey | ZVQDIZDRDFRHLY-UHFFFAOYSA-N |
| Molecular Weight | 336.343 g/mol |
| SMILES | C1(=CC=CC=C1OC(=O)C1=CC=C(CC)C=C1)OC(C1=CC=CO1)=O |