| SpectraBase Compound ID | 6GrdoNyVvdK |
|---|---|
| InChI | InChI=1S/C9H9BrO3/c1-6(11)13-8-4-3-7(10)5-9(8)12-2/h3-5H,1-2H3 |
| InChIKey | GCNWECQSWKBEGV-UHFFFAOYSA-N |
| Mol Weight | 245.07 g/mol |
| Molecular Formula | C9H9BrO3 |
| Exact Mass | 243.973507 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | L6gsmY8aIdQ |
|---|---|
| Name | 4-Bromoguaiacol, acetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 243.973507147 u |
| Formula | C9H9BrO3 |
| InChI | InChI=1S/C9H9BrO3/c1-6(11)13-8-4-3-7(10)5-9(8)12-2/h3-5H,1-2H3 |
| InChIKey | GCNWECQSWKBEGV-UHFFFAOYSA-N |
| Molecular Weight | 245.072 g/mol |
| SMILES | C1(=CC(=CC=C1OC(C)=O)Br)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.94813 |