![1,10-Dihydroxy-3-methylbenzo[C][1]benzoxepine-6,11-dione, dimethyl ether](/api/spectrum/6ZKSbYbreIx/structure.png?h=300&w=458 "1,10-Dihydroxy-3-methylbenzo[C][1]benzoxepine-6,11-dione, dimethyl ether")
| SpectraBase Compound ID | 6aLuj57cx8B |
|---|---|
| InChI | InChI=1S/C17H14O5/c1-9-7-12(21-3)15-13(8-9)22-17(19)10-5-4-6-11(20-2)14(10)16(15)18/h4-8H,1-3H3 |
| InChIKey | WEROHIOKJDQNOF-UHFFFAOYSA-N |
| Mol Weight | 298.29 g/mol |
| Molecular Formula | C17H14O5 |
| Exact Mass | 298.084124 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6ZKSbYbreIx |
|---|---|
| Name | 1,10-Dihydroxy-3-methylbenzo[C][1]benzoxepine-6,11-dione, dimethyl ether |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.084123546 u |
| Formula | C17H14O5 |
| InChI | InChI=1S/C17H14O5/c1-9-7-12(21-3)15-13(8-9)22-17(19)10-5-4-6-11(20-2)14(10)16(15)18/h4-8H,1-3H3 |
| InChIKey | WEROHIOKJDQNOF-UHFFFAOYSA-N |
| Molecular Weight | 298.294 g/mol |
| SMILES | C1=2C(C3=C(C(OC2C=C(C=C1OC)C)=O)C=CC=C3OC)=O |