| SpectraBase Compound ID | I4Me5hue1ZS |
|---|---|
| InChI | InChI=1S/C18H14O5/c1-9-4-5-12-13(6-9)17(20)14-7-11(22-3)8-15(23-10(2)19)16(14)18(12)21/h4-8H,1-3H3 |
| InChIKey | FXXWPLNCMLBTPD-UHFFFAOYSA-N |
| Mol Weight | 310.31 g/mol |
| Molecular Formula | C18H14O5 |
| Exact Mass | 310.084124 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BF099dd0J1I |
|---|---|
| Name | 1-Acetoxy-3-methoxy-6-methylanthraquinone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.084123546 u |
| Formula | C18H14O5 |
| InChI | InChI=1S/C18H14O5/c1-9-4-5-12-13(6-9)17(20)14-7-11(22-3)8-15(23-10(2)19)16(14)18(12)21/h4-8H,1-3H3 |
| InChIKey | FXXWPLNCMLBTPD-UHFFFAOYSA-N |
| Molecular Weight | 310.305 g/mol |
| SMILES | C12=C(C=CC(=C2)C)C(C=2C(C1=O)=CC(OC)=CC2OC(=O)C)=O |