| SpectraBase Compound ID | G8oztOoONQ0 |
|---|---|
| InChI | InChI=1S/C9H9BrO2/c1-6(11)9-7(10)4-3-5-8(9)12-2/h3-5H,1-2H3 |
| InChIKey | MIYSKSQWTYYYMX-UHFFFAOYSA-N |
| Mol Weight | 229.07 g/mol |
| Molecular Formula | C9H9BrO2 |
| Exact Mass | 227.978593 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | J8wC6vrWKcb |
|---|---|
| Name | 1-(2-Bromanyl-6-methoxy-phenyl)ethanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 227.978592528 u |
| Formula | C9H9BrO2 |
| InChI | InChI=1S/C9H9BrO2/c1-6(11)9-7(10)4-3-5-8(9)12-2/h3-5H,1-2H3 |
| InChIKey | MIYSKSQWTYYYMX-UHFFFAOYSA-N |
| Molecular Weight | 229.073 g/mol |
| SMILES | C=1(C(=O)C)C(Br)=CC=CC1OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.860748 |