| SpectraBase Compound ID | FI3SlICpILp |
|---|---|
| InChI | InChI=1S/C11H13BrO3/c1-2-14-7-8-15-11(13)9-3-5-10(12)6-4-9/h3-6H,2,7-8H2,1H3 |
| InChIKey | FBQYAFSUKGIAPJ-UHFFFAOYSA-N |
| Mol Weight | 273.13 g/mol |
| Molecular Formula | C11H13BrO3 |
| Exact Mass | 272.004807 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9z4MDsHoKW0 |
|---|---|
| Name | 4-Bromobenzoic acid, 2-ethoxyethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.004807276 u |
| Formula | C11H13BrO3 |
| InChI | InChI=1S/C11H13BrO3/c1-2-14-7-8-15-11(13)9-3-5-10(12)6-4-9/h3-6H,2,7-8H2,1H3 |
| InChIKey | FBQYAFSUKGIAPJ-UHFFFAOYSA-N |
| SMILES | C1=C(C=CC(=C1)C(=O)OCCOCC)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.944235 |