| SpectraBase Compound ID | 1cDzILOXLmq |
|---|---|
| InChI | InChI=1S/C17H16O6/c1-3-21-17(19)23-13-8-6-7-12(11-13)22-16(18)14-9-4-5-10-15(14)20-2/h4-11H,3H2,1-2H3 |
| InChIKey | ABPWEKIHSRMSIN-UHFFFAOYSA-N |
| Mol Weight | 316.31 g/mol |
| Molecular Formula | C17H16O6 |
| Exact Mass | 316.094688 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LgyOuKT4AWY |
|---|---|
| Name | 1,3-Benzenediol, o-(2-methoxybenzoyl)-o'-ethoxycarbonyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.094688229 u |
| Formula | C17H16O6 |
| InChI | InChI=1S/C17H16O6/c1-3-21-17(19)23-13-8-6-7-12(11-13)22-16(18)14-9-4-5-10-15(14)20-2/h4-11H,3H2,1-2H3 |
| InChIKey | ABPWEKIHSRMSIN-UHFFFAOYSA-N |
| Molecular Weight | 316.309 g/mol |
| SMILES | C1=C(C=CC=C1OC(=O)C=1C=CC=CC1OC)OC(=O)OCC |