![3,8-Dihydroxy-1,4,6,9-tetramethyldibenzo[B,E][1,4]dioxepin-11-one](/api/spectrum/37UJQweFrgs/structure.png?h=300&w=458 "3,8-Dihydroxy-1,4,6,9-tetramethyldibenzo[B,E][1,4]dioxepin-11-one")
| SpectraBase Compound ID | 51QAYXRrSq1 |
|---|---|
| InChI | InChI=1S/C17H16O5/c1-7-5-11(18)9(3)15-13(7)17(20)22-16-10(4)12(19)6-8(2)14(16)21-15/h5-6,18-19H,1-4H3 |
| InChIKey | JURQVQJHQONKKH-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 | 37UJQweFrgs |
|---|---|
| Name | 3,8-Dihydroxy-1,4,6,9-tetramethyldibenzo[B,E][1,4]dioxepin-11-one |
| 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/c1-7-5-11(18)9(3)15-13(7)17(20)22-16-10(4)12(19)6-8(2)14(16)21-15/h5-6,18-19H,1-4H3 |
| InChIKey | JURQVQJHQONKKH-UHFFFAOYSA-N |
| SMILES | CC1=CC(O)=C(C)C=2OC3=C(C)C=C(O)C(C)=C3OC(=O)C12 |