| SpectraBase Compound ID | ChMCoUgG2Xk |
|---|---|
| InChI | InChI=1S/C11H11BrO5/c1-15-10(13)6-17-9-4-3-7(5-8(9)12)11(14)16-2/h3-5H,6H2,1-2H3 |
| InChIKey | ADMNPQQISUIDAX-UHFFFAOYSA-N |
| Mol Weight | 303.11 g/mol |
| Molecular Formula | C11H11BrO5 |
| Exact Mass | 301.978986 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AffaI2ICYob |
|---|---|
| Name | Methyl 3-bromo-4-(2-methoxy-2-oxoethoxy)benzoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 301.978986449 u |
| Formula | C11H11BrO5 |
| InChI | InChI=1S/C11H11BrO5/c1-15-10(13)6-17-9-4-3-7(5-8(9)12)11(14)16-2/h3-5H,6H2,1-2H3 |
| InChIKey | ADMNPQQISUIDAX-UHFFFAOYSA-N |
| SMILES | C1=C(C(=CC=C1C(OC)=O)OCC(OC)=O)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.983216 |