| SpectraBase Compound ID | ETu9fmPGCbr |
|---|---|
| InChI | InChI=1S/C17H15BrO4/c1-11(2)16(19)21-14-8-3-4-9-15(14)22-17(20)12-6-5-7-13(18)10-12/h3-11H,1-2H3 |
| InChIKey | SCRGAHFFRDXOTC-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 | IFKQzYiC7Rd |
|---|---|
| Name | 1,2-Benzenediol, o-(3-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)21-14-8-3-4-9-15(14)22-17(20)12-6-5-7-13(18)10-12/h3-11H,1-2H3 |
| InChIKey | SCRGAHFFRDXOTC-UHFFFAOYSA-N |
| Molecular Weight | 363.207 g/mol |
| SMILES | C1=C(C(=CC=C1)OC(C(C)C)=O)OC(=O)C=1C=C(C=CC1)Br |