| SpectraBase Compound ID | BP65TduZj7l |
|---|---|
| InChI | InChI=1S/C10H11BrO3/c1-13-5-6-14-10(12)8-3-2-4-9(11)7-8/h2-4,7H,5-6H2,1H3 |
| InChIKey | UMQPCKOBFOWUPF-UHFFFAOYSA-N |
| Mol Weight | 259.1 g/mol |
| Molecular Formula | C10H11BrO3 |
| Exact Mass | 257.989157 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5FNhQo5pP65 |
|---|---|
| Name | 3-Bromobenzoic acid, 2-methoxyethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 257.989157211 u |
| Formula | C10H11BrO3 |
| InChI | InChI=1S/C10H11BrO3/c1-13-5-6-14-10(12)8-3-2-4-9(11)7-8/h2-4,7H,5-6H2,1H3 |
| InChIKey | UMQPCKOBFOWUPF-UHFFFAOYSA-N |
| SMILES | C(C1=CC(=CC=C1)Br)(=O)OCCOC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.862776 |