| SpectraBase Compound ID | KQaZKAYnPgv |
|---|---|
| InChI | InChI=1S/C15H13BrO2/c1-10-3-8-14(9-11(10)2)18-15(17)12-4-6-13(16)7-5-12/h3-9H,1-2H3 |
| InChIKey | FIOCPTCXWOIKCZ-UHFFFAOYSA-N |
| Mol Weight | 305.17 g/mol |
| Molecular Formula | C15H13BrO2 |
| Exact Mass | 304.009893 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7MGpe6oqmN2 |
|---|---|
| Name | 4-Bromobenzoic acid, 3,4-dimethylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.009892657 u |
| Formula | C15H13BrO2 |
| InChI | InChI=1S/C15H13BrO2/c1-10-3-8-14(9-11(10)2)18-15(17)12-4-6-13(16)7-5-12/h3-9H,1-2H3 |
| InChIKey | FIOCPTCXWOIKCZ-UHFFFAOYSA-N |
| Molecular Weight | 305.171 g/mol |
| SMILES | C1=C(C=CC(=C1)C(=O)OC=1C=C(C(C)=CC1)C)Br |