| SpectraBase Compound ID | 5sRcTmF8TL3 |
|---|---|
| InChI | InChI=1S/C17H16O5/c1-3-12-8-10-13(11-9-12)16(18)21-14-6-4-5-7-15(14)22-17(19)20-2/h4-11H,3H2,1-2H3 |
| InChIKey | LRTLECNJXGAVBL-UHFFFAOYSA-N |
| Mol Weight | 300.31 g/mol |
| Molecular Formula | C17H16O5 |
| Exact Mass | 300.099774 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Cq9M2QIa5Bk |
|---|---|
| Name | 1,2-Benzenediol, o-(4-ethylbenzoyl)-o'-methoxycarbonyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.099773610 u |
| Formula | C17H16O5 |
| InChI | InChI=1S/C17H16O5/c1-3-12-8-10-13(11-9-12)16(18)21-14-6-4-5-7-15(14)22-17(19)20-2/h4-11H,3H2,1-2H3 |
| InChIKey | LRTLECNJXGAVBL-UHFFFAOYSA-N |
| SMILES | COC(=O)OC=1C(=CC=CC1)OC(=O)C1=CC=C(CC)C=C1 |