| SpectraBase Compound ID | 9XPGmtfJBiT |
|---|---|
| InChI | InChI=1S/C14H11BrO2/c1-10-5-2-3-8-13(10)17-14(16)11-6-4-7-12(15)9-11/h2-9H,1H3 |
| InChIKey | HGFJMRPBZDWVOB-UHFFFAOYSA-N |
| Mol Weight | 291.14 g/mol |
| Molecular Formula | C14H11BrO2 |
| Exact Mass | 289.994243 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 47elzQxVGKx |
|---|---|
| Name | 3-Bromobenzoic acid, 2-methylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 289.994242592 u |
| Formula | C14H11BrO2 |
| InChI | InChI=1S/C14H11BrO2/c1-10-5-2-3-8-13(10)17-14(16)11-6-4-7-12(15)9-11/h2-9H,1H3 |
| InChIKey | HGFJMRPBZDWVOB-UHFFFAOYSA-N |
| SMILES | C1(=CC=CC(=C1)Br)C(OC1=CC=CC=C1C)=O |