| SpectraBase Compound ID | C8ngVR8fVUw |
|---|---|
| InChI | InChI=1S/C11H11BrO4/c1-15-10(13)7-4-3-5-8(9(7)6-12)11(14)16-2/h3-5H,6H2,1-2H3 |
| InChIKey | KRJSSQZVMROWLC-UHFFFAOYSA-N |
| Mol Weight | 287.11 g/mol |
| Molecular Formula | C11H11BrO4 |
| Exact Mass | 285.984072 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EhAQ3bXzX9I |
|---|---|
| Name | 1,3-Benzenedicarboxylic acid, 2-(bromomethyl)-, dimethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 285.984071830 u |
| Formula | C11H11BrO4 |
| InChI | InChI=1S/C11H11BrO4/c1-15-10(13)7-4-3-5-8(9(7)6-12)11(14)16-2/h3-5H,6H2,1-2H3 |
| InChIKey | KRJSSQZVMROWLC-UHFFFAOYSA-N |
| SMILES | C=1(C(C(=O)OC)=CC=CC1C(=O)OC)CBr |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.971142 |