| SpectraBase Compound ID | LoVoVbN2c9A |
|---|---|
| InChI | InChI=1S/C18H14O6/c1-3-12-22-18(20)24-16-11-7-6-10-15(16)23-17(19)13-8-4-5-9-14(13)21-2/h1,4-11H,12H2,2H3 |
| InChIKey | ORIACNOIKDUCTN-UHFFFAOYSA-N |
| Mol Weight | 326.3 g/mol |
| Molecular Formula | C18H14O6 |
| Exact Mass | 326.079038 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1fP7e13yBjs |
|---|---|
| Name | 1,2-Benzenediol, o-(2-methoxybenzoyl)-o'-(propargyloxycarbonyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.079038165 u |
| Formula | C18H14O6 |
| InChI | InChI=1S/C18H14O6/c1-3-12-22-18(20)24-16-11-7-6-10-15(16)23-17(19)13-8-4-5-9-14(13)21-2/h1,4-11H,12H2,2H3 |
| InChIKey | ORIACNOIKDUCTN-UHFFFAOYSA-N |
| Molecular Weight | 326.304 g/mol |
| SMILES | C1(=CC=CC=C1OC(OCC#C)=O)OC(C1=CC=CC=C1OC)=O |