| SpectraBase Compound ID | FUAI3wlxpiZ |
|---|---|
| InChI | InChI=1S/C17H15BrO4/c1-11(2)16(19)21-12-6-5-7-13(10-12)22-17(20)14-8-3-4-9-15(14)18/h3-11H,1-2H3 |
| InChIKey | UGSUUNWKZWLWJH-UHFFFAOYSA-N |
| Mol Weight | 363.21 g/mol |
| Molecular Formula | C17H15BrO4 |
| Exact Mass | 362.015372 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3406yaWU7Pr |
|---|---|
| Name | 1,3-Benzenediol, o-(2-bromobenzoyl)-o'-isobutyryl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 362.015371959 u |
| Formula | C17H15BrO4 |
| InChI | InChI=1S/C17H15BrO4/c1-11(2)16(19)21-12-6-5-7-13(10-12)22-17(20)14-8-3-4-9-15(14)18/h3-11H,1-2H3 |
| InChIKey | UGSUUNWKZWLWJH-UHFFFAOYSA-N |
| Molecular Weight | 363.207 g/mol |
| SMILES | C1=C(C=C(C=C1)OC(C(C)C)=O)OC(C1=CC=CC=C1Br)=O |