| SpectraBase Compound ID | Aqbmy7FsqD |
|---|---|
| InChI | InChI=1S/C10H13BrO2/c1-7(2)13-9-5-4-8(11)6-10(9)12-3/h4-7H,1-3H3 |
| InChIKey | HRFNLAXNVRSXPK-UHFFFAOYSA-N |
| Mol Weight | 245.12 g/mol |
| Molecular Formula | C10H13BrO2 |
| Exact Mass | 244.009893 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | gZhkafh7LP |
|---|---|
| Name | 4-Bromoguaiacol, isopropyl ether |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 244.009892657 u |
| Formula | C10H13BrO2 |
| InChI | InChI=1S/C10H13BrO2/c1-7(2)13-9-5-4-8(11)6-10(9)12-3/h4-7H,1-3H3 |
| InChIKey | HRFNLAXNVRSXPK-UHFFFAOYSA-N |
| Molecular Weight | 245.116 g/mol |
| SMILES | C1(=CC(=CC=C1OC(C)C)Br)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.889798 |