| SpectraBase Compound ID | JVOr2fAKX4K |
|---|---|
| InChI | InChI=1S/C18H11BrO5/c19-13-7-2-1-6-12(13)17(20)23-14-8-3-4-9-15(14)24-18(21)16-10-5-11-22-16/h1-11H |
| InChIKey | VMXRMNKIYSEPFU-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 | 3jXh533cE9Y |
|---|---|
| Name | 1,2-Benzenediol, o-(2-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/c19-13-7-2-1-6-12(13)17(20)23-14-8-3-4-9-15(14)24-18(21)16-10-5-11-22-16/h1-11H |
| InChIKey | VMXRMNKIYSEPFU-UHFFFAOYSA-N |
| Molecular Weight | 387.185 g/mol |
| SMILES | C1(=CC=CC=C1OC(=O)C1=CC=CC=C1Br)OC(=O)C1=CC=CO1 |