| SpectraBase Compound ID | LlecWMT5tZI |
|---|---|
| InChI | InChI=1S/C11H13BrO3/c1-3-14-10-6-5-8(12)7-9(10)11(13)15-4-2/h5-7H,3-4H2,1-2H3 |
| InChIKey | VFEIDFPXGJAGEI-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 | 5tfeGNnVqqH |
|---|---|
| Name | 5-Bromosalicylic acid 2et P727 |
| 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/c1-3-14-10-6-5-8(12)7-9(10)11(13)15-4-2/h5-7H,3-4H2,1-2H3 |
| InChIKey | VFEIDFPXGJAGEI-UHFFFAOYSA-N |
| SMILES | C=1C(C(OCC)=O)=C(OCC)C=CC1Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.949506 |