| SpectraBase Compound ID | DQnoi6BOt5g |
|---|---|
| InChI | InChI=1S/C14H11BrO2/c15-13-8-6-12(7-9-13)14(16)17-10-11-4-2-1-3-5-11/h1-9H,10H2 |
| InChIKey | CKXJOUQTHOVDON-UHFFFAOYSA-N |
| Mol Weight | 291.14 g/mol |
| Molecular Formula | C14H11BrO2 |
| Exact Mass | 289.994243 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3erhJoJxLS6 |
|---|---|
| Name | 4-Bromobenzoic acid, benzyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 289.994242592 u |
| Formula | C14H11BrO2 |
| InChI | InChI=1S/C14H11BrO2/c15-13-8-6-12(7-9-13)14(16)17-10-11-4-2-1-3-5-11/h1-9H,10H2 |
| InChIKey | CKXJOUQTHOVDON-UHFFFAOYSA-N |
| SMILES | C1(=CC=CC=C1)COC(C1=CC=C(C=C1)Br)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.858077 |