| SpectraBase Compound ID | 85fYlebZG0C |
|---|---|
| InChI | InChI=1S/C18H11BrO5/c19-13-6-3-5-12(11-13)17(20)23-14-7-1-2-8-15(14)24-18(21)16-9-4-10-22-16/h1-11H |
| InChIKey | JUOKRQMQNLKODA-UHFFFAOYSA-N |
| Mol Weight | 387.19 g/mol |
| Molecular Formula | C18H11BrO5 |
| Exact Mass | 385.978986 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6lUBWlcDw4v |
|---|---|
| Name | 1,2-Benzenediol, o-(3-bromobenzoyl)-o'-(2-furoyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 385.978986449 u |
| Formula | C18H11BrO5 |
| InChI | InChI=1S/C18H11BrO5/c19-13-6-3-5-12(11-13)17(20)23-14-7-1-2-8-15(14)24-18(21)16-9-4-10-22-16/h1-11H |
| InChIKey | JUOKRQMQNLKODA-UHFFFAOYSA-N |
| Molecular Weight | 387.185 g/mol |
| SMILES | C=1OC(C(OC2=CC=CC=C2OC(C2=CC(=CC=C2)Br)=O)=O)=CC1 |