| SpectraBase Compound ID | BNr4iLS4wvP |
|---|---|
| InChI | InChI=1S/C18H14O6/c1-21-17(19)11-22-13-7-8-14-15(9-13)23-10-16(18(14)20)24-12-5-3-2-4-6-12/h2-10H,11H2,1H3 |
| InChIKey | MXCJBVTXMZZCPE-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 | LMqKA6lZIeW |
|---|---|
| Name | 3-Methoxy-7-methoxycarbonylmethyloxychromone |
| 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/c1-21-17(19)11-22-13-7-8-14-15(9-13)23-10-16(18(14)20)24-12-5-3-2-4-6-12/h2-10H,11H2,1H3 |
| InChIKey | MXCJBVTXMZZCPE-UHFFFAOYSA-N |
| Molecular Weight | 326.304 g/mol |
| SMILES | C=1(C(c2ccc(cc2OC1)OCC(=O)OC)=O)Oc1ccccc1 |